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89410-13-9 | 2H-1,3,2-Benzoxazaphosphorine, 2-chlorooctahydro-3-phenyl-, 2-oxide
CAS No: 89410-13-9 Catalog No: AG004518 MDL No:
Product Description
Catalog Number:
AG004518
Chemical Name:
2H-1,3,2-Benzoxazaphosphorine, 2-chlorooctahydro-3-phenyl-, 2-oxide
CAS Number:
89410-13-9
Molecular Formula:
C13H17ClNO2P
Molecular Weight:
285.7063
IUPAC Name:
2-chloro-3-phenyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3,2]oxazaphosphinine 2-oxide
InChI:
InChI=1S/C13H17ClNO2P/c14-18(16)15(12-7-2-1-3-8-12)10-11-6-4-5-9-13(11)17-18/h1-3,7-8,11,13H,4-6,9-10H2
InChI Key:
OFTVNQXWLXYVGU-UHFFFAOYSA-N
SMILES:
ClP1(=O)OC2CCCCC2CN1c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.708g/mol
Monoisotopic Mass:
285.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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