AG002OGL

245365-64-4 | Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, phenylmethyl ester

AG002OGL

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CAS Number	245365-64-4
Catalog Number	AG002OGL(AGN-PC-00AOCJ)
Chemical Name	Carbamic acid, N-[(2-nitrophenyl)sulfonyl]-, phenylmethyl ester
IUPAC Name	benzyl N-(2-nitrophenyl)sulfonylcarbamate
InChI	InChI=1S/C14H12N2O6S/c17-14(22-10-11-6-2-1-3-7-11)15-23(20,21)13-9-5-4-8-12(13)16(18)19/h1-9H,10H2,(H,15,17)
InChI Key	BFQXFHUTPNBFSR-UHFFFAOYSA-N
MDL Number	MFCD06797080
Molecular Formula	C14H12N2O6S
Molecular Weight	336.3199
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)(NC(OCC2=CC=CC=C2)=O)=O
Synonyms	N-Carbobenzoxy-2-nitrobenzenesulfonamide, 245365-64-4, Benzyl (2-nitrophenyl)sulfonylcarbamate, N-Cbz-2-nitrobenzenesulfonamide, C14H12N2O6S, Benzyl N-(2-nitrophenyl)sulfonylcarbamate, CTK8B3882, DTXSID90450651, ANW-43363, MFCD06797080, ZINC44075871, RTR-011316, ACM245365644, AB1011477, TR-011316, C1757, X7316, (2-Nitrophenylsulfonyl)carbamic acid benzyl ester, J-015558, I14-93660, CID10980593,

Complexity	518
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	336.042g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	336.318g/mol
Monoisotopic Mass	336.042g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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