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13712-55-5 | 1H-Pyrrole, 2,5-dimethyl-1,3-diphenyl-
CAS No: 13712-55-5 Catalog No: AG0012VA MDL No:
Product Description
Catalog Number:
AG0012VA
Chemical Name:
1H-Pyrrole, 2,5-dimethyl-1,3-diphenyl-
CAS Number:
13712-55-5
Molecular Formula:
C18H17N
Molecular Weight:
247.3343
IUPAC Name:
2,5-dimethyl-1,3-diphenylpyrrole
InChI:
InChI=1S/C18H17N/c1-14-13-18(16-9-5-3-6-10-16)15(2)19(14)17-11-7-4-8-12-17/h3-13H,1-2H3
InChI Key:
RKRDSADIVAXQAH-UHFFFAOYSA-N
SMILES:
Cc1cc(c(n1c1ccccc1)C)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.341g/mol
Monoisotopic Mass:
247.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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