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15494-45-8 | 4H-1,3,2-Benzoxazaphosphorin-4-one, 2-chloro-2,3-dihydro-3-phenyl-
CAS No: 15494-45-8 Catalog No: AG001NII MDL No:
Product Description
Catalog Number:
AG001NII
Chemical Name:
4H-1,3,2-Benzoxazaphosphorin-4-one, 2-chloro-2,3-dihydro-3-phenyl-
CAS Number:
15494-45-8
Molecular Formula:
C13H9ClNO2P
Molecular Weight:
277.6428
IUPAC Name:
2-chloro-3-phenyl-1,3,2-benzoxazaphosphinin-4-one
InChI:
InChI=1S/C13H9ClNO2P/c14-18-15(10-6-2-1-3-7-10)13(16)11-8-4-5-9-12(11)17-18/h1-9H
InChI Key:
QIMVVPSKQYVOBU-UHFFFAOYSA-N
SMILES:
ClP1Oc2ccccc2C(=O)N1c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.644g/mol
Monoisotopic Mass:
277.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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