Compound 63
  CheckMol                        TMF02:r0:m0
MF=C7H5BrO2 MW=201.02
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3008    0.7618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3126    2.2618   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6017    0.0352   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6134    3.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9025    0.7852   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9143    2.2853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2151    3.0353   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2268    4.5354   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    2.2970   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

2D Structure

4-Bromobenzoic acid

₹ 0.00 0.00

Request Quote

Chemical Name - 4-Bromobenzoic acid
Mol Weight - 201.019
Smiles - OC(c(cc1)ccc1Br)=O

Property Name	Property Value
Mol Name	4-Bromobenzoic acid
Molweight	201.019
Monoisotopic Mass	199.947291
Clogp	1.8699
Clogs	-2.463
H Acceptors	2
H Donors	1
Total Surface Area	115.99
Relative Psa	0.22536
Polar Surface Area	37.3
Druglikeness	-3.6342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Shape Index	0.7
Molecular Flexibility	0.3819
Molecular Complexity	0.6271
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Acidic Oxygens	1
Smiles	OC(c(cc1)ccc1Br)=O
InChIKey	InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI	TUXYZHVUPGXXQG-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile, trade leads and products are user generated content.

Molecule Properties are generated theoretically — any objection please contact us.

Shipping

Usually delivered in 3–4 days.

Enter pincode for exact delivery dates/charges.

Credit / Debit Card Payment

We accept all major credit / debit cards for payment; you can also pay through online banking.

Cash On Delivery

If available, select Cash on Delivery (CoD) payment option while placing the order and pay in cash at the time of actual delivery. No advance payment needed.

1 — 4-Bromobenzoic acid | 2 — 4-Bromobenzoic acid