AG0085XK

1032349-97-5 | tert-Butyl 1-(4-cyanophenyl)cyclobutylcarbamate

AG0085XK

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CAS Number	1032349-97-5
Catalog Number	AG0085XK(AGN-PC-07ZRRW)
Chemical Name	tert-Butyl 1-(4-cyanophenyl)cyclobutylcarbamate
IUPAC Name	tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
InChI	InChI=1S/C16H20N2O2/c1-15(2,3)20-14(19)18-16(9-4-10-16)13-7-5-12(11-17)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChI Key	MVZPOTHSWMRTJZ-UHFFFAOYSA-N
MDL Number	MFCD15071414
Molecular Formula	C16H20N2O2
Molecular Weight	272.3422
SMILES	CC(OC(NC1(C2=CC=C(C#N)C=C2)CCC1)=O)(C)C
Synonyms	1032349-97-5, tert-butyl 1-(4-cyanophenyl)cyclobutylcarbamate, tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate, TERT-BUTYL (1-(4-CYANOPHENYL)CYCLOBUTYL)CARBAMATE, tert-butyl [1-(4-cyanophenyl)cyclobutyl]carbamate, SCHEMBL361749, CTK8C4612, DTXSID60676801, MVZPOTHSWMRTJZ-UHFFFAOYSA-N, CS-M1260, KS-000008NG, ANW-72466, MFCD15071414, ZINC45328516, AKOS015917071, CB-3325, PB11963, AS-38961, SC-90847, AJ-110398, DB-012525, TC-161211, 4CH-024238, FT-0655744, ST24049581, X5124, tert-butyl[1-(4cyanophenyl)cyclobutyl]carbamate, tert-Butyl 1-(4-cyanophenyl);cyclobutylcarbamate, tert-butyl[1-(4-cyanophenyl)cyclobutyl]carbamate, S01-0632, tert-Butyl 1-(4-cyanophenyl)cyclobutylcarbamate, AldrichCPR, [1-(4-Cyano-phenyl)-cyclobutyl]-carbamic Acid Tert-butyl Ester, CarbaMic acid,N-[1-(4-cyanophenyl)cyclobutyl]-,1,1-diMethylethyl ester, C16H20N2O2, ACN-027164, tert-butyl1-(4-cyanophenyl)cyclobutylcarbamate, A1854,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.152g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.348g/mol
Monoisotopic Mass	272.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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