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1254110-85-4 | Ethanone, 1-(4,5-dichloro-1H-pyrrol-2-yl)-
CAS No: 1254110-85-4 Catalog No: AG000NNL MDL No:
Product Description
Catalog Number:
AG000NNL
Chemical Name:
Ethanone, 1-(4,5-dichloro-1H-pyrrol-2-yl)-
CAS Number:
1254110-85-4
Molecular Formula:
C6H5Cl2NO
Molecular Weight:
178.0160
IUPAC Name:
1-(4,5-dichloro-1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C6H5Cl2NO/c1-3(10)5-2-4(7)6(8)9-5/h2,9H,1H3
InChI Key:
QFUQUALBSJJVQO-UHFFFAOYSA-N
SMILES:
Clc1[nH]c(cc1Cl)C(=O)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
176.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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