Home Nitros 1H-Indole, 5-nitro-1-(phenylmethyl)-

1H-Indole, 5-nitro-1-(phenylmethyl)-

CAS No.:
65795-95-1
Catalog Number:
AG006OG9
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
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Product Description
Catalog Number:
AG006OG9
Chemical Name:
1H-Indole, 5-nitro-1-(phenylmethyl)-
CAS Number:
65795-95-1
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD03206550
IUPAC Name:
1-benzyl-5-nitroindole
InChI:
InChI=1S/C15H12N2O2/c18-17(19)14-6-7-15-13(10-14)8-9-16(15)11-12-4-2-1-3-5-12/h1-10H,11H2
InChI Key:
LONPVIGEVNTHTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccn2Cc1ccccc1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties