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191871-90-6 | Carbamic acid, [(4-cyanophenyl)methyl]methyl-, 1,1-dimethylethyl ester (9CI)
CAS No: 191871-90-6 Catalog No: AG002FI9 MDL No:
Product Description
Catalog Number:
AG002FI9
Chemical Name:
Carbamic acid, [(4-cyanophenyl)methyl]methyl-, 1,1-dimethylethyl ester (9CI)
CAS Number:
191871-90-6
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
tert-butyl N-[(4-cyanophenyl)methyl]-N-methylcarbamate
InChI:
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16(4)10-12-7-5-11(9-15)6-8-12/h5-8H,10H2,1-4H3
InChI Key:
GHJRYEQNGTUIFJ-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)Cc1ccc(cc1)C#N
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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