AG00H30N

91445-84-0 | 2-(3-Bromo-phenyl)-cyclopropanecarboxylic acid

AG00H30N

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CAS Number	91445-84-0
Catalog Number	AG00H30N(AGN-PC-03R9ZV)
Chemical Name	2-(3-Bromo-phenyl)-cyclopropanecarboxylic acid
IUPAC Name	2-(3-bromophenyl)cyclopropane-1-carboxylic acid
InChI	InChI=1S/C10H9BrO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChI Key	WQKBKSZJAIBOED-UHFFFAOYSA-N
MDL Number	MFCD11895900
Molecular Formula	C10H9BrO2
Molecular Weight	241.0813
SMILES	O=C(C1C(C2=CC=CC(Br)=C2)C1)O
Synonyms	2-(3-bromophenyl)cyclopropanecarboxylic acid, 91445-84-0, 2-(3-bromophenyl)cyclopropane-1-carboxylic acid, 2-(3-BROMO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID, (1R)-2-(3-bromophenyl)cyclopropane-1-carboxylic acid, AC1Q74C6, SCHEMBL4134734, CTK7I7284, DTXSID00626946, WQKBKSZJAIBOED-UHFFFAOYSA-N, 1314323-94-8, 1093AJ, MFCD11895900, SBB084057, AKOS005217100, MCULE-8657685260, EN300-60489, W-4431, Z1259041078, C10H9BrO2,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.084g/mol
Monoisotopic Mass	239.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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