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102534-74-7 | Phosphonochloridic acid, (3-methyl-1H-pyrazol-1-yl)-, phenyl ester (9CI)
CAS No: 102534-74-7 Catalog No: AG0007OB MDL No:
Product Description
Catalog Number:
AG0007OB
Chemical Name:
Phosphonochloridic acid, (3-methyl-1H-pyrazol-1-yl)-, phenyl ester (9CI)
CAS Number:
102534-74-7
Molecular Formula:
C10H10ClN2O2P
Molecular Weight:
256.6254
IUPAC Name:
1-[chloro(phenoxy)phosphoryl]-3-methylpyrazole
InChI:
InChI=1S/C10H10ClN2O2P/c1-9-7-8-13(12-9)16(11,14)15-10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
CBMOXRAIQDOQMP-UHFFFAOYSA-N
SMILES:
Cc1ccn(n1)P(=O)(Oc1ccccc1)Cl
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.626g/mol
Monoisotopic Mass:
256.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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