AG000OB0

1256633-39-2 | Carbamic acid, N-(3-bromo-4-fluorophenyl)-, phenylmethyl ester

AG000OB0

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CAS Number	1256633-39-2
Catalog Number	AG000OB0(AGN-PC-0WAEI6)
Chemical Name	Carbamic acid, N-(3-bromo-4-fluorophenyl)-, phenylmethyl ester
IUPAC Name	benzyl N-(3-bromo-4-fluorophenyl)carbamate
InChI	InChI=1S/C14H11BrFNO2/c15-12-8-11(6-7-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChI Key	AVLKMUXJCIPDEQ-UHFFFAOYSA-N
MDL Number	MFCD18071052
Molecular Formula	C14H11BrFNO2
Molecular Weight	324.1450
SMILES	FC1=C(Br)C=C(NC(OCC2=CC=CC=C2)=O)C=C1
Synonyms	N-Cbz-3-bromo-4-fluoroaniline, 1256633-39-2, Benzyl (3-bromo-4-fluorophenyl)carbamate, KS-00000D8N, 7250AJ, MFCD18071052, ZINC90636018, AKOS022177531, TRA0053457, AS-31896, SY012035, AJ-129061, benzyl N-(3-bromo-4-fluorophenyl)carbamate, DB-020235, TC-308691, FT-0718040, K-1894, MFCD18071052 (95+%), Carbamic acid, N-(3-bromo-4-fluorophenyl)-, phenylmethyl ester, C14H11BrFNO2, 611-01-8,

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-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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