AG00C4J9

2159-40-2 | 2(4-BROMOBENZOYL)BENZOIC ACID

AG00C4J9

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CAS Number	2159-40-2
Catalog Number	AG00C4J9(AGN-PC-0JNT86)
Chemical Name	2(4-BROMOBENZOYL)BENZOIC ACID
IUPAC Name	2-(4-bromobenzoyl)benzoic acid
InChI	InChI=1S/C14H9BrO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChI Key	NONNFIAFWRSPPY-UHFFFAOYSA-N
MDL Number	MFCD00559266
Molecular Formula	C14H9BrO3
Molecular Weight	305.1235
NSC Number	82294
SMILES	OC(=O)C1=C(C=CC=C1)C(=O)C1=CC=C(Br)C=C1
Synonyms	2-(4-bromobenzoyl)benzoic acid, 2159-40-2, o-(p-Bromobenzoyl)benzoic acid, CHEMBL198745, 2-(4-bromobenzoyl)-benzoic acid, 2-[(4-bromophenyl)carbonyl]benzoic acid, NSC82294, AC1L5TSF, AC1Q5DQ8, TimTec1_006398, AC1Q723F, SCHEMBL1828088, CTK1A3806, ZINC58211, DTXSID60292404, NONNFIAFWRSPPY-UHFFFAOYSA-N, HMS1552C18, Benzoic acid, o-(p-bromobenzoyl)-, 0982AB, ANW-58483, BDBM50174203, Benzoic acid, 2-(4-bromobenzoyl)-, MFCD00559266, NSC-82294, SBB001254, STL262697, 2(4-BROMOBENZOYL)BENZOIC ACID, AKOS000266854, MCULE-1729488229, NE11584, AJ-09837, AS-45877, DA-08178, ST058454, TC-147228, FT-0705768, EN300-28437, SR-01000391836, SR-01000391836-1, Z57902896, F0346-0674, 2 BENZOICACID, C14H9BrO3, AR-1K8386, CID256062, 6310-82-3,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.974g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.127g/mol
Monoisotopic Mass	303.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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