AG000VU2

1312765-69-7 | Boronic acid, B-(3-bromo-4-methylphenyl)-

AG000VU2

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CAS Number	1312765-69-7
Catalog Number	AG000VU2(AGN-PC-0WA889)
Chemical Name	Boronic acid, B-(3-bromo-4-methylphenyl)-
IUPAC Name	(3-bromo-4-methylphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key	VBESRPDPCSIDEN-UHFFFAOYSA-N
MDL Number	MFCD16295252
Molecular Formula	C7H8BBrO2
Molecular Weight	214.8522
SMILES	CC1=CC=C(B(O)O)C=C1Br
Synonyms	3-BROMO-4-METHYLPHENYLBORONIC ACID, 1312765-69-7, (3-Bromo-4-methylphenyl)boronic acid, ACMC-209blb, CTK8B0083, DTXSID40631276, ANW-19293, MFCD16295252, AKOS015892969, ZINC169913268, FCH1398406, BC001096, OR360216, TC-108038, Boronic acid, B-(3-bromo-4-methylphenyl)-, Z0083, A-4725, I04-1748, C7H8BBrO2,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.98g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.853g/mol
Monoisotopic Mass	213.98g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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