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663177-42-2 | 7-CHLORO-2-PHENYL-4-NITROINDOLE
CAS No: 663177-42-2 Catalog No: AG003NEB MDL No:
Product Description
Catalog Number:
AG003NEB
Chemical Name:
7-CHLORO-2-PHENYL-4-NITROINDOLE
CAS Number:
663177-42-2
Molecular Formula:
C14H9ClN2O2
Molecular Weight:
272.6865
IUPAC Name:
7-chloro-4-nitro-2-phenyl-1H-indole
InChI:
InChI=1S/C14H9ClN2O2/c15-11-6-7-13(17(18)19)10-8-12(16-14(10)11)9-4-2-1-3-5-9/h1-8,16H
InChI Key:
BMXATLYQHHUUFI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1[nH]c(c2)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.688g/mol
Monoisotopic Mass:
272.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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