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102153-74-2 | Benzonitrile, 4-(phosphonooxy)-
CAS No: 102153-74-2 Catalog No: AG0006S1 MDL No:
Product Description
Catalog Number:
AG0006S1
Chemical Name:
Benzonitrile, 4-(phosphonooxy)-
CAS Number:
102153-74-2
Molecular Formula:
C7H6NO4P
Molecular Weight:
199.1006
IUPAC Name:
(4-cyanophenyl) dihydrogen phosphate
InChI:
InChI=1S/C7H6NO4P/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)
InChI Key:
DPMNXNUWRHZLTN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OP(=O)(O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.102g/mol
Monoisotopic Mass:
199.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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