AG003STF

869299-68-3 | tert-Butyl (4-chloro-3-fluorophenyl)carbamate

AG003STF

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CAS Number	869299-68-3
Catalog Number	AG003STF(AGN-PC-0D1N4Y)
Chemical Name	tert-Butyl (4-chloro-3-fluorophenyl)carbamate
IUPAC Name	tert-butyl N-(4-chloro-3-fluorophenyl)carbamate
InChI	InChI=1S/C11H13ClFNO2/c1-11(2,3)16-10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
InChI Key	CAQFDOGCQMWYBK-UHFFFAOYSA-N
MDL Number	MFCD21170108
Molecular Formula	C11H13ClFNO2
Molecular Weight	245.6778
SMILES	O=C(OC(C)(C)C)NC1=CC=C(Cl)C(F)=C1
Synonyms	869299-68-3, N-Boc-4-chloro-3-fluoroaniline, tert-Butyl (4-chloro-3-fluorophenyl)carbamate, tert-butyl 4-chloro-3-fluorophenylcarbamate, tert-butyl N-(4-chloro-3-fluorophenyl)carbamate, SCHEMBL12228592, KS-000009YD, 7238AJ, MFCD21170108, ZINC83501934, AKOS014475911, TRA0048179, CS-11660, QC-10161, SY027651, AJ-126000, CS-0038342, ST24049533, Z-3757, MFCD21170108 (97+%), 2-Methyl-2-propanyl (4-chloro-3-fluorophenyl)carbamate, (4-Chloro-3-fluoro-phenyl)-carbamic acid tert-butyl ester, C11H13ClFNO2,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.062g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.678g/mol
Monoisotopic Mass	245.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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