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5044-23-5 | 1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole
CAS No: 5044-23-5 Catalog No: AG003CYV MDL No:MFCD00027420
Product Description
Catalog Number:
AG003CYV
Chemical Name:
1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole
CAS Number:
5044-23-5
Molecular Formula:
C12H12ClN
Molecular Weight:
205.6834
MDL Number:
MFCD00027420
IUPAC Name:
1-(4-chlorophenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C12H12ClN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
InChI Key:
NNKFIFOSLJJRES-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(C)ccc1C
EC Number:
225-739-8
NSC Number:
746144
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.685g/mol
Monoisotopic Mass:
205.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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