AG0000SV

1000698-88-3 | Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester

AG0000SV

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CAS Number	1000698-88-3
Catalog Number	AG0000SV(AGN-PC-0H1UJB)
Chemical Name	Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(2-amino-4,5-difluorophenyl)carbamate
InChI	InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-9-5-7(13)6(12)4-8(9)14/h4-5H,14H2,1-3H3,(H,15,16)
InChI Key	NYKTXVPUGXBLOK-UHFFFAOYSA-N
MDL Number	MFCD12913719
Molecular Formula	C11H14F2N2O2
Molecular Weight	244.2379
SMILES	O=C(OC(C)(C)C)NC1=CC(F)=C(F)C=C1N
Synonyms	tert-Butyl (2-amino-4,5-difluorophenyl)carbamate, 1000698-88-3, (2-Amino-4,5-difluoro-phenyl)-carbamic acid tert-butyl ester, AK155184, SCHEMBL197226, NYKTXVPUGXBLOK-UHFFFAOYSA-N, 4517AJ, MFCD12913719, ZINC76859312, AKOS023229162, DS-8321, FCH1624423, AJ-122206, AX8289772, tert-butyl N-(2-amino-4,5-difluorophenyl)carbamate, Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester, C11H14F2N2O2,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.102g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.242g/mol
Monoisotopic Mass	244.102g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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