methyl naphthalen-1-ylcarbamate 5449-00-3

Details:

【Name】
methyl naphthalen-1-ylcarbamate
【Iupac name】
methyl N-naphthalen-1-ylcarbamate
【CAS Registry number】
5449-00-3
【Synonyms】
methyl naphthalen-1-ylcarbamate
Methyl N-.alpha.-naphthylcarbamate
methyl N-(naphthalen-1-yl)carbamate
5449-00-3
1-Naphthalenecarbamic acid, methyl ester
AC1Q44DQ
Methyl 1-naphthalenecarbamate
AC1L5F70
Methyl N-(1-naphthyl)carbamate
methyl N-naphthalen-1-ylcarbamate
AC1Q6062
NSC18126
AR-1J6039
NSC-18126
ZINC00395068
AKOS003441992
ST50548531
Carbamic acid, 1-naphthalenyl-, methyl ester
【Molecular Formula】
C12H11NO2 (Products with the same molecular formula)
【Molecular Weight】
201.2212
【Inchi】
InChI=1/C12H11NO2/c1-15-12(14)13-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
【Canonical SMILES】
COC(=O)NC1=CC=CC2=CC=CC=C21
【MOL File】
5449-00-3.mol
Chemical and Physical Properties
【Density】
1.234g/cm3
【Boiling Point】
301.4°C at 760 mmHg
【Refractive Index】
1.659
【Flash Point】
136.1°C
【Computed Properties】
Molecular Weight:201.22124 [g/mol]
Molecular Formula:C12H11NO2
XLogP3:2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:201.078979
MonoIsotopic Mass:201.078979
Topological Polar Surface Area:38.3
Heavy Atom Count:15
Formal Charge:0
Complexity:230
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:7