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87640-71-9 | Carbamic acid, (5-chloro-5-phenylpentyl)(2-phenylethyl)-, ethenyl ester
CAS No: 87640-71-9 Catalog No: AG004ON2 MDL No:
Product Description
Catalog Number:
AG004ON2
Chemical Name:
Carbamic acid, (5-chloro-5-phenylpentyl)(2-phenylethyl)-, ethenyl ester
CAS Number:
87640-71-9
Molecular Formula:
C22H26ClNO2
Molecular Weight:
371.9003
IUPAC Name:
ethenyl N-(5-chloro-5-phenylpentyl)-N-(2-phenylethyl)carbamate
InChI:
InChI=1S/C22H26ClNO2/c1-2-26-22(25)24(18-16-19-11-5-3-6-12-19)17-10-9-15-21(23)20-13-7-4-8-14-20/h2-8,11-14,21H,1,9-10,15-18H2
InChI Key:
AGGWQRIGNWWCON-UHFFFAOYSA-N
SMILES:
C=COC(=O)N(CCc1ccccc1)CCCCC(c1ccccc1)Cl
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.905g/mol
Monoisotopic Mass:
371.165g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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