AG003J2N

453566-14-8 | 3-bromo-5-cyanobenzoic acid

AG003J2N

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	453566-14-8
Catalog Number	AG003J2N(AGN-PC-03I29Y)
Chemical Name	3-bromo-5-cyanobenzoic acid
IUPAC Name	3-bromo-5-cyanobenzoic acid
InChI	InChI=1S/C8H4BrNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
InChI Key	QJJKUQVSSJSXLJ-UHFFFAOYSA-N
MDL Number	MFCD09261037
Molecular Formula	C8H4BrNO2
Molecular Weight	226.0269
SMILES	C(=O)(O)c1cc(C#N)cc(c1)Br
Synonyms	3-BROMO-5-CYANOBENZOIC ACID, 453566-14-8, Benzoic acid, 3-bromo-5-cyano-, W-202797, 3-Bromo-5-cyanobenzoicacid, ACMC-1BMUX, 3-cyano-5-bromobenzoic acid, 3-Bromo-5-cyano-benzoic acid, SCHEMBL5222297, Benzoic acid,3-bromo-5-cyano-, CTK4I8766, DTXSID40620504, QJJKUQVSSJSXLJ-UHFFFAOYSA-N, KS-00000EI7, 3-Bromo-5-cyanobenzoic acid, 95%, ANW-71836, BBL102882, MFCD09261037, STL556690, ZINC35322904, AKOS016007469, AB50041, FCH1327279, TRA0028824, AJ-91260, AK-67711, AS-19200, BBV-40203118, QC-11431, SC-85182, SY018578, AX8208490, RT-019593, FT-0765300, X5294, MFCD09261037 (95+%), C8H4BrNO2,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.943g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.029g/mol
Monoisotopic Mass	224.943g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number