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915977-45-6

915977-45-6 | 1H-Indole, 2-[2-(bromomethyl)phenyl]-5-nitro-

CAS No: 915977-45-6 Catalog No: AG006FVX MDL No:

Product Description

Catalog Number:
AG006FVX
Chemical Name:
1H-Indole, 2-[2-(bromomethyl)phenyl]-5-nitro-
CAS Number:
915977-45-6
Molecular Formula:
C15H11BrN2O2
Molecular Weight:
331.1640
IUPAC Name:
2-[2-(bromomethyl)phenyl]-5-nitro-1H-indole
InChI:
InChI=1S/C15H11BrN2O2/c16-9-10-3-1-2-4-13(10)15-8-11-7-12(18(19)20)5-6-14(11)17-15/h1-8,17H,9H2
InChI Key:
UCDGBYPVPXGIGZ-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1c1cc2c([nH]1)ccc(c2)[N+](=O)[O-]

Properties

Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
331.169g/mol
Monoisotopic Mass:
330g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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