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138767-70-1 | Phosphonamidic acid, P-cyclohexyl-N-phenyl-, 4-chlorophenyl ester
CAS No: 138767-70-1 Catalog No: AG0019I9 MDL No:
Product Description
Catalog Number:
AG0019I9
Chemical Name:
Phosphonamidic acid, P-cyclohexyl-N-phenyl-, 4-chlorophenyl ester
CAS Number:
138767-70-1
Molecular Formula:
C18H21ClNO2P
Molecular Weight:
349.7916
IUPAC Name:
N-[(4-chlorophenoxy)-cyclohexylphosphoryl]aniline
InChI:
InChI=1S/C18H21ClNO2P/c19-15-11-13-17(14-12-15)22-23(21,18-9-5-2-6-10-18)20-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,20,21)
InChI Key:
XFLARJLIDTVRHV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OP(=O)(C1CCCCC1)Nc1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.795g/mol
Monoisotopic Mass:
349.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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