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13317-09-4 | Phosphonic acid, P-(3-chloropropyl)-
CAS No: 13317-09-4 Catalog No: AG0014CX MDL No:MFCD16877721
Product Description
Catalog Number:
AG0014CX
Chemical Name:
Phosphonic acid, P-(3-chloropropyl)-
CAS Number:
13317-09-4
Molecular Formula:
C3H8ClO3P
Molecular Weight:
158.5206
MDL Number:
MFCD16877721
IUPAC Name:
3-chloropropylphosphonic acid
InChI:
InChI=1S/C3H8ClO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChI Key:
SUAATVSKKHVVJP-UHFFFAOYSA-N
SMILES:
ClCCCP(=O)(O)O
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.99g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.518g/mol
Monoisotopic Mass:
157.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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