AG0076GA

380430-62-6 | (3-((Benzyloxy)carbonyl)-5-nitrophenyl)boronic acid

AG0076GA

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CAS Number	380430-62-6
Catalog Number	AG0076GA(AGN-PC-0RFAGD)
Chemical Name	(3-((Benzyloxy)carbonyl)-5-nitrophenyl)boronic acid
IUPAC Name	(3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-12(15(18)19)8-13(7-11)16(20)21/h1-8,18-19H,9H2
InChI Key	YDPDKQXYZBUILB-UHFFFAOYSA-N
MDL Number	MFCD03411934
Molecular Formula	C14H12BNO6
Molecular Weight	301.0592
SMILES	O=[N+](C1=CC(C(OCC2=CC=CC=C2)=O)=CC(B(O)O)=C1)[O-]
Synonyms	380430-62-6, 3-Benzyloxycarbonyl-5-nitrophenylboronic acid, (3-((Benzyloxy)carbonyl)-5-nitrophenyl)boronic acid, (3-Benzyloxycarbonyl-5-nitrophenyl)boronic acid, (3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid, Benzoicacid, 3-borono-5-nitro-, 1-(phenylmethyl) ester (9CI), {3-[(benzyloxy)carbonyl]-5-nitrophenyl}boronic acid, 3-BENZYLOXYCARBONYL-5-NITROBENZENEBORONIC ACID, AC1MCMO2, ACMC-209ix5, (3-nitro-5-phenylmethoxycarbonyl-phenyl)boronic Acid, SCHEMBL4626752, CTK4H9203, DTXSID30378305, ZX-AT022619, ANW-28791, MFCD03411934, AKOS015839320, ZINC169745630, AB14284, VB10443, BENZYL 3-BORONO-5-NITROBENZOATE, ACM380430626, BC002025, CC-00530, N262, AX8015241, DB-010536, TR-015396, FT-0644547, ST24034242, 3-(benzyloxycarbonyl)-5-nitrophenylboronic acid, B-3649, (3-Benzyloxycarbonyl-5-nitro-phenyl)boronic acid, 3-[(benzyloxy)carbonyl]-5-nitrophenylboronic acid, A823985, C-18794, 3-Nitro-5-(dihydroxyboryl)benzoic acid benzyl ester, I04-2155, 3-BORONO-5-NITRO-BENZOIC ACID, 1-(PHENYLMETHYL) ESTER, BENZOIC ACID, 3-BORONO-5-NITRO-, 1-(PHENYLMETHYL) ESTER, BORONICACID, C14H12BNO6, ACN-042590, CB-1048, CID2773247, Benzoic acid, 3-borono-5-nitro-, 1-(phenylmethyl) ester (9CI),

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.076g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.061g/mol
Monoisotopic Mass	301.076g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	113A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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