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7249-59-4 | Carbamic acid,butylphenyl-, butyl ester (9CI)
CAS No: 7249-59-4 Catalog No: AG005GXQ MDL No:
Product Description
Catalog Number:
AG005GXQ
Chemical Name:
Carbamic acid,butylphenyl-, butyl ester (9CI)
CAS Number:
7249-59-4
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
butyl N-butyl-N-phenylcarbamate
InChI:
InChI=1S/C15H23NO2/c1-3-5-12-16(14-10-8-7-9-11-14)15(17)18-13-6-4-2/h7-11H,3-6,12-13H2,1-2H3
InChI Key:
ACGUMJCTUKRBQF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)N(c1ccccc1)CCCC
UNII:
TV7W9L25YQ
NSC Number:
57369
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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