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2610-59-5 | Carbamic acid, (3-cyanophenyl)-, 1-methylethyl ester (9CI)
CAS No: 2610-59-5 Catalog No: AG002ROE MDL No:
Product Description
Catalog Number:
AG002ROE
Chemical Name:
Carbamic acid, (3-cyanophenyl)-, 1-methylethyl ester (9CI)
CAS Number:
2610-59-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
propan-2-yl N-(3-cyanophenyl)carbamate
InChI:
InChI=1S/C11H12N2O2/c1-8(2)15-11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChI Key:
AVZJPKADDQKROZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=O)OC(C)C
NSC Number:
83158
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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