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177723-19-2 | Carbamic acid, N-[(S)-cyanophenylmethyl]-, 1,1-dimethylethyl ester
CAS No: 177723-19-2 Catalog No: AG0025HA MDL No:
Product Description
Catalog Number:
AG0025HA
Chemical Name:
Carbamic acid, N-[(S)-cyanophenylmethyl]-, 1,1-dimethylethyl ester
CAS Number:
177723-19-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
tert-butyl N-[(S)-cyano(phenyl)methyl]carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16)/t11-/m1/s1
InChI Key:
UWMFDFGRVUUNOU-LLVKDONJSA-N
SMILES:
N#C[C@H](c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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