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89758-97-4 | Phosphonic acid, [chloro(4-methylphenyl)methyl]-
CAS No: 89758-97-4 Catalog No: AG0040Q5 MDL No:
Product Description
Catalog Number:
AG0040Q5
Chemical Name:
Phosphonic acid, [chloro(4-methylphenyl)methyl]-
CAS Number:
89758-97-4
Molecular Formula:
C8H10ClO3P
Molecular Weight:
220.5900
IUPAC Name:
[chloro-(4-methylphenyl)methyl]phosphonic acid
InChI:
InChI=1S/C8H10ClO3P/c1-6-2-4-7(5-3-6)8(9)13(10,11)12/h2-5,8H,1H3,(H2,10,11,12)
InChI Key:
OBJGBVJJPHMRGV-UHFFFAOYSA-N
SMILES:
ClC(P(=O)(O)O)c1ccc(cc1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.589g/mol
Monoisotopic Mass:
220.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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