AG00EBO9

612833-37-1 | Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)

AG00EBO9

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CAS Number	612833-37-1
Catalog Number	AG00EBO9(AGN-PC-03X8KT)
Chemical Name	Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)
IUPAC Name	(5-cyano-2-methoxyphenyl)boronic acid
InChI	InChI=1S/C8H8BNO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,11-12H,1H3
InChI Key	LDZCPLGOLLHOON-UHFFFAOYSA-N
MDL Number	MFCD06801691
Molecular Formula	C8H8BNO3
Molecular Weight	176.9650
SMILES	C(#N)C=1C=CC(=C(C1)B(O)O)OC
Synonyms	612833-37-1, 5-CYANO-2-METHOXYPHENYLBORONIC ACID, (5-Cyano-2-methoxyphenyl)boronic acid, Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI), BORONIC ACID, (5-CYANO-2-METHOXYPHENYL)-, ACMC-1BESK, cyanomethoxyphenylboronicacid, SCHEMBL1303073, CTK5B2989, DTXSID50629624, LDZCPLGOLLHOON-UHFFFAOYSA-N, 2-methoxy-5-cyanophenylboronic acid, KS-000025FC, 5-cyano-2-methoxybenzeneboronic acid, ANW-33753, MFCD06801691, SBB089222, 5-cyano-2-methoxy-benzeneboronic acid, AKOS004119215, ZINC169794685, AB30089, GC-0707, RP10723, RTR-021106, AK-84268, SC-48460, SY025303, TR-021106, CS-0038538, FT-0681008, X0901, MFCD06801691 (95%), B-8235, (5-cyano-2-methoxyphenyl)boronic acid, AldrichCPR, I04-1858, J-501579, C8H8BNO3,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.06g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.966g/mol
Monoisotopic Mass	177.06g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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