AG00BIF5

221006-67-3 | 4-Bromo-3-methylphenylboronic acid

AG00BIF5

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CAS Number	221006-67-3
Catalog Number	AG00BIF5(AGN-PC-0MZAAD)
Chemical Name	4-Bromo-3-methylphenylboronic acid
IUPAC Name	(4-bromo-3-methylphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key	WATLRNVCMDWRNM-UHFFFAOYSA-N
MDL Number	MFCD17011983
Molecular Formula	C7H8BBrO2
Molecular Weight	214.8522
SMILES	CC1=C(Br)C=CC(=C1)B(O)O
Synonyms	(4-Bromo-3-methylphenyl)boronic acid, 221006-67-3, 4-BROMO-3-METHYLPHENYLBORONIC ACID, AK-61697, (4-bromo-3-methyl-phenyl)boronic Acid, SCHEMBL5839148, CTK7I2592, DTXSID00436022, ANW-68818, MFCD17011983, AKOS016005949, ZINC169748035, FCH1351484, BC001569, DS-14872, OR360232, SC-98955, AB0042517, AX8218057, TC-157563, Boronic acid, B-(4-bromo-3-methylphenyl)-, FT-0704999, ST24034625, Z0391, Q-7359, C7H8BBrO2, (4-Bromo-3-methylphenyl)boronicacid, CID10130599,

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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