AG00DKGF

501944-56-5 | (3'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid

AG00DKGF

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CAS Number	501944-56-5
Catalog Number	AG00DKGF(AGN-PC-03X8M2)
Chemical Name	(3'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid
IUPAC Name	[4-(3-methylphenyl)phenyl]boronic acid
InChI	InChI=1S/C13H13BO2/c1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15)16/h2-9,15-16H,1H3
InChI Key	ZMAZTBOWJCUUAW-UHFFFAOYSA-N
MDL Number	MFCD08701725
Molecular Formula	C13H13BO2
Molecular Weight	212.0521
SMILES	CC1=CC(C2=CC=C(B(O)O)C=C2)=CC=C1
Synonyms	501944-56-5, (3'-Methyl-[1,1'-biphenyl]-4-yl)boronic acid, 4-(3-METHYLPHENYL)PHENYLBORONIC ACID, ACMC-209kkj, SCHEMBL2700407, CTK8B1761, DTXSID60629650, ANW-30929, MFCD08701725, (3'-Methyl-4-biphenylyl)boronic acid, AKOS004113806, ZINC169844713, OR360439, AX8239936, TC-119674, V6227, K-9293, (3'-Methyl[1,1'-biphenyl]-4-yl)boronic acid, C13H13BO2, (3'-Methyl-[1,1'-biphenyl]-4-yl)boronicacid,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.101g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.055g/mol
Monoisotopic Mass	212.101g/mol
Rotatable Bond Count	2
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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