sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile

4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile

CAS No.:
116450-83-0
Catalog Number:
AG00HDQ9
Molecular Formula:
C16H11N3O2
Molecular Weight:
277.2774
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$294
- +
250mg
95%
In Stock USA
United States
$546
- +
1g
95%
In Stock USA
United States
$1092
- +
5g
95%
In Stock USA
United States
$3276
- +
Product Description
Catalog Number:
AG00HDQ9
Chemical Name:
4-((6-Nitro-1H-indol-1-yl)methyl)benzonitrile
CAS Number:
116450-83-0
Molecular Formula:
C16H11N3O2
Molecular Weight:
277.2774
MDL Number:
MFCD28991856
IUPAC Name:
4-[(6-nitroindol-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C16H11N3O2/c17-10-12-1-3-13(4-2-12)11-18-8-7-14-5-6-15(19(20)21)9-16(14)18/h1-9H,11H2
InChI Key:
OECLIUQCXNYUQS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cn1ccc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.085g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.283g/mol
Monoisotopic Mass:
277.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties