AG00DBKX

510729-01-8 | Benzyl (4-bromo-3-fluorophenyl)carbamate

AG00DBKX

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CAS Number	510729-01-8
Catalog Number	AG00DBKX(AGN-PC-0HCKE1)
Chemical Name	Benzyl (4-bromo-3-fluorophenyl)carbamate
EC Number	695-996-2
IUPAC Name	benzyl N-(4-bromo-3-fluorophenyl)carbamate
InChI	InChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChI Key	UPTMRBYILBFUPA-UHFFFAOYSA-N
MDL Number	MFCD23381075
Molecular Formula	C14H11BrFNO2
Molecular Weight	324.1450
SMILES	O=C(OCC1=CC=CC=C1)NC2=CC=C(Br)C(F)=C2
Synonyms	Benzyl (4-bromo-3-fluorophenyl)carbamate, 510729-01-8, benzyl N-(4-bromo-3-fluorophenyl)carbamate, Torezolid Impurity 17, (4-Bromo-3-fluoro-phenyl)-carbamic Acid Benzyl Ester, SCHEMBL2088984, DTXSID00736731, UPTMRBYILBFUPA-UHFFFAOYSA-N, ALBB-030428, MFCD23381075, ZINC95698899, AKOS022171509, ACN-046357, DS-5668, AK137079, AJ-133553, 4CH-022348, ST24046073, (4-Bromo-3-fluorophenyl)carbamic Acid Benzyl Ester, EC 695-996-2, N-(4-Bromo-3-fluorophenyl)carbamic acid phenylmethyl ester,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.996g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.149g/mol
Monoisotopic Mass	322.996g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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