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Home > Nitro Compounds > 28494-51-1
28494-51-1 | 1H-Pyrrole-2-carbonyl chloride, 1-methyl-4-nitro-
CAS No: 28494-51-1 Catalog No: AG002VIG MDL No:MFCD08272043
Product Description
Catalog Number:
AG002VIG
Chemical Name:
1H-Pyrrole-2-carbonyl chloride, 1-methyl-4-nitro-
CAS Number:
28494-51-1
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
MDL Number:
MFCD08272043
IUPAC Name:
1-methyl-4-nitropyrrole-2-carbonyl chloride
InChI:
InChI=1S/C6H5ClN2O3/c1-8-3-4(9(11)12)2-5(8)6(7)10/h2-3H,1H3
InChI Key:
ZBXBOVMIODZOBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(c1)C(=O)Cl)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.567g/mol
Monoisotopic Mass:
187.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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