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145878-50-8 | Carbamic acid, N-(3-cyanophenyl)-, 1,1-dimethylethyl ester
CAS No: 145878-50-8 Catalog No: AG001DH0 MDL No:MFCD07787223
Product Description
Catalog Number:
AG001DH0
Chemical Name:
Carbamic acid, N-(3-cyanophenyl)-, 1,1-dimethylethyl ester
CAS Number:
145878-50-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD07787223
IUPAC Name:
tert-butyl N-(3-cyanophenyl)carbamate
InChI:
InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,1-3H3,(H,14,15)
InChI Key:
UEEFNFUJFIMRPZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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