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88501-42-2 | Phosphonochloridic acid, pentyl-, phenylmethyl ester
CAS No: 88501-42-2 Catalog No: AG00498F MDL No:
Product Description
Catalog Number:
AG00498F
Chemical Name:
Phosphonochloridic acid, pentyl-, phenylmethyl ester
CAS Number:
88501-42-2
Molecular Formula:
C12H18ClO2P
Molecular Weight:
260.6969
IUPAC Name:
[chloro(pentyl)phosphoryl]oxymethylbenzene
InChI:
InChI=1S/C12H18ClO2P/c1-2-3-7-10-16(13,14)15-11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChI Key:
KRCLUMJPCICBLQ-UHFFFAOYSA-N
SMILES:
CCCCCP(=O)(OCc1ccccc1)Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.698g/mol
Monoisotopic Mass:
260.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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