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24691-30-3 | 1H-Pyrrole-2-carboxylic acid, 3,4-dichloro-5-methyl-
CAS No: 24691-30-3 Catalog No: AG002P21 MDL No:MFCD09991685
Product Description
Catalog Number:
AG002P21
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3,4-dichloro-5-methyl-
CAS Number:
24691-30-3
Molecular Formula:
C6H5Cl2NO2
Molecular Weight:
194.0154
MDL Number:
MFCD09991685
IUPAC Name:
3,4-dichloro-5-methyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H5Cl2NO2/c1-2-3(7)4(8)5(9-2)6(10)11/h9H,1H3,(H,10,11)
InChI Key:
HIXZMJPBUJFSPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c(c(c1Cl)Cl)C
EC Number:
607-421-4
Properties
Complexity:
176
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:
2
Isotope Atom Count:
0
Molecular Weight:
194.011g/mol
Monoisotopic Mass:
192.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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