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115464-89-6 | 1H-Pyrrole, 2-(3-chlorophenyl)-
CAS No: 115464-89-6 Catalog No: AG000G15 MDL No:MFCD08689215
Product Description
Catalog Number:
AG000G15
Chemical Name:
1H-Pyrrole, 2-(3-chlorophenyl)-
CAS Number:
115464-89-6
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD08689215
IUPAC Name:
2-(3-chlorophenyl)-1H-pyrrole
InChI:
InChI=1S/C10H8ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,12H
InChI Key:
HOXQAKYIVLKWTB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1ccc[nH]1
NSC Number:
116793
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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