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87388-49-6 | Phosphonic acid, [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-, dimethyl ester
CAS No: 87388-49-6 Catalog No: AG004K3D MDL No:
Product Description
Catalog Number:
AG004K3D
Chemical Name:
Phosphonic acid, [4-(2-chlorophenyl)-1H-pyrrol-3-yl]-, dimethyl ester
CAS Number:
87388-49-6
Molecular Formula:
C12H13ClNO3P
Molecular Weight:
285.6633
IUPAC Name:
3-(2-chlorophenyl)-4-dimethoxyphosphoryl-1H-pyrrole
InChI:
InChI=1S/C12H13ClNO3P/c1-16-18(15,17-2)12-8-14-7-10(12)9-5-3-4-6-11(9)13/h3-8,14H,1-2H3
InChI Key:
GTGBQSRUBWUDTA-UHFFFAOYSA-N
SMILES:
COP(=O)(c1c[nH]cc1c1ccccc1Cl)OC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.664g/mol
Monoisotopic Mass:
285.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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