AG005188

81740-18-3 | 1-N-Boc-3-Fluoroaniline

AG005188

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CAS Number	81740-18-3
Catalog Number	AG005188(AGN-PC-0KL2B5)
Chemical Name	1-N-Boc-3-Fluoroaniline
IUPAC Name	tert-butyl N-(3-fluorophenyl)carbamate
InChI	InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChI Key	ZTELOKGOCXECBW-UHFFFAOYSA-N
MDL Number	MFCD04035656
Molecular Formula	C11H14FNO2
Molecular Weight	211.2328
SMILES	FC1=CC(NC(OC(C)(C)C)=O)=CC=C1
Synonyms	81740-18-3, 1-N-Boc-3-Fluoroaniline, 1-N-Boc-3-fluoro-aniline, tert-butyl N-(3-fluorophenyl)carbamate, tert-butyl 3-fluorophenylcarbamate, tert-Butyl (3-fluorophenyl)carbamate, (3-Fluoro-phenyl)-carbamic acid tert-butyl ester, Carbamic acid, (3-fluorophenyl)-, 1,1-dimethylethyl ester, N-Boc-3-fluoroaniline, AC1MD4DN, KSC495K9D, SCHEMBL5474962, CTK3J5591, DTXSID80382614, ZTELOKGOCXECBW-UHFFFAOYSA-N, ACT05251, ZINC2523072, ANW-47888, MFCD04035656, SBB094490, AKOS009158199, PS-8005, KS-000011E0, AJ-37270, BR-45355, AB0007518, RT-002608, ST2415440, (tert-butoxy)-N-(3-fluorophenyl)carboxamide, 4CH-002413, FT-0630008, W8594, A13017, S-4421, S14-2363, Carbamic acid, N-(3-fluorophenyl)-, 1,1-dimethylethyl ester, C11H14FNO2, ZINC02523072, CID2783370,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.101g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.236g/mol
Monoisotopic Mass	211.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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