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1197-12-2 | 1H-Pyrrole-2-carboxylic acid, 4,5-dichloro-, methyl ester
CAS No: 1197-12-2 Catalog No: AG000PH2 MDL No:MFCD13193111
Product Description
Catalog Number:
AG000PH2
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4,5-dichloro-, methyl ester
CAS Number:
1197-12-2
Molecular Formula:
C6H5Cl2NO2
Molecular Weight:
194.0154
MDL Number:
MFCD13193111
IUPAC Name:
methyl 4,5-dichloro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H5Cl2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
InChI Key:
QDFVSOPGBXZRSC-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c(c(c1)Cl)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.97g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.011g/mol
Monoisotopic Mass:
192.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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