AG008FS9

849062-36-8 | (3-Bromo-5-methylphenyl)boronic acid

AG008FS9

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CAS Number	849062-36-8
Catalog Number	AG008FS9(AGN-PC-00UQK8)
Chemical Name	(3-Bromo-5-methylphenyl)boronic acid
IUPAC Name	(3-bromo-5-methylphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
InChI Key	KKEPYOBFWSGWLQ-UHFFFAOYSA-N
MDL Number	MFCD06411355
Molecular Formula	C7H8BBrO2
Molecular Weight	214.8522
SMILES	CC1=CC(Br)=CC(B(O)O)=C1
Synonyms	3-Bromo-5-methylphenylboronic acid, 849062-36-8, (3-bromo-5-methylphenyl)boronic acid, 3-Bromo-5-methylbenzeneboronic acid, MFCD06411355, AK-61966, Boronic acid,B-(3-bromo-5-methylphenyl)-, ACMC-209pyo, SCHEMBL3755288, CTK5F3466, DTXSID70584488, KKEPYOBFWSGWLQ-UHFFFAOYSA-N, ZX-AT010079, ANW-37918, OR9550, AKOS004114014, ZINC169745082, (3-Bromo-5-methyl-phenyl)boronic acid, AB25255, CS-W000980, FCH1323669, RTR-026324, VB10446, KS-000011G0, (3-bromanyl-5-methyl-phenyl)boronic acid, AS-18797, BC002018, BP-11405, CC-00537, AB0030158, AX8010537, DB-015866, FT-0644906, ST24034331, X2346, A-4726, A841003, C-11430, I04-1779, C7H8BBrO2, ACN-044078, 3-BROMO-5-METHYLPHENYLBORONICACID,

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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