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Home > Imidazoles > 98070-63-4
98070-63-4 | Phosphonic acid, 1H-imidazol-1-yl-, monomethyl ester
CAS No: 98070-63-4 Catalog No: AG00H5ZA MDL No:
Product Description
Catalog Number:
AG00H5ZA
Chemical Name:
Phosphonic acid, 1H-imidazol-1-yl-, monomethyl ester
CAS Number:
98070-63-4
Molecular Formula:
C4H6N2O3P-
Molecular Weight:
161.0758
IUPAC Name:
imidazol-1-yl(methoxy)phosphinate
InChI:
InChI=1S/C4H7N2O3P/c1-9-10(7,8)6-3-2-5-4-6/h2-4H,1H3,(H,7,8)/p-1
InChI Key:
VFJGSBOUZYLIHB-UHFFFAOYSA-M
SMILES:
COP(=O)(n1cncc1)[O-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.012g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.077g/mol
Monoisotopic Mass:
161.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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