AG00379Q

380430-52-4 | (3-((Benzyloxy)carbonyl)phenyl)boronic acid

AG00379Q

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CAS Number	380430-52-4
Catalog Number	AG00379Q(AGN-PC-0RFAAS)
Chemical Name	(3-((Benzyloxy)carbonyl)phenyl)boronic acid
IUPAC Name	(3-phenylmethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C14H13BO4/c16-14(19-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9,17-18H,10H2
InChI Key	JJEBLYAGYRLJRG-UHFFFAOYSA-N
MDL Number	MFCD02179445
Molecular Formula	C14H13BO4
Molecular Weight	256.0616
SMILES	OB(O)C1=CC(=CC=C1)C(=O)OCC1=CC=CC=C1
Synonyms	3-Benzyloxycarbonylphenylboronic acid, 380430-52-4, (3-((Benzyloxy)carbonyl)phenyl)boronic acid, 3-(benzyloxycarbonyl)phenylboronic acid, (3-phenylmethoxycarbonylphenyl)boronic Acid, (3-Benzyloxycarbonylphenyl)boronic acid, 3-(BENZYLOXYCARBONYL)BENZENEBORONIC ACID, Benzoic acid,3-borono-, 1-(phenylmethyl) ester, MFCD02179445, ACMC-1AJEC, AC1MCMO4, SCHEMBL855584, 3-Carbobenzoxyphenylboronic Acid, 3-Carbobenzoxybenzeneboronic Acid, CTK4H9198, DTXSID90378306, AC1Q7161, ZX-AT022042, ANW-28785, SBB067263, AKOS015839321, ZINC169745136, AB11146, B1515G1, CB-1049, OR10358, VB10611, (3-Benzyl-Oxycarbonylphenyl)Boronic Acid, 3-[(benzyloxy)carbonyl]phenylboronic acid, ACM380430524, CC-14299, N263, AX8015332, DB-010537, TR-015387, B5172, FT-0644541, B-3661, 3-benzyloxycarbonylphenylboronic acid, AldrichCPR, A823977, C-15891, 3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), C14H13BO4, 3-Benzyloxycarbonylbenzeneboronic acid, ACN-042588, CID2773249, 3-BENZYLOXYCARBONYLPHENYLBORONICACID, Benzoic acid, 3-borono-, 1-(phenylmethyl) ester (9CI),

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.091g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.064g/mol
Monoisotopic Mass	256.091g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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