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17848-02-1 | Phosphonisocyanatidic acid, P-methyl-, phenyl ester
CAS No: 17848-02-1 Catalog No: AG002633 MDL No:
Product Description
Catalog Number:
AG002633
Chemical Name:
Phosphonisocyanatidic acid, P-methyl-, phenyl ester
CAS Number:
17848-02-1
Molecular Formula:
C8H8NO3P
Molecular Weight:
197.1278
IUPAC Name:
[isocyanato(methyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C8H8NO3P/c1-13(11,9-7-10)12-8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
FZQXYOKXQHAHRV-UHFFFAOYSA-N
SMILES:
O=C=NP(=O)(Oc1ccccc1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.13g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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