200,000+ products from a single source!
sales@angenechem.com
90178-76-0 | Benzonitrile, 4-(iodomethyl)-3-nitro-
CAS No: 90178-76-0 Catalog No: AG006HFE MDL No:
Product Description
Catalog Number:
AG006HFE
Chemical Name:
Benzonitrile, 4-(iodomethyl)-3-nitro-
CAS Number:
90178-76-0
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
4-(iodomethyl)-3-nitrobenzonitrile
InChI:
InChI=1S/C8H5IN2O2/c9-4-7-2-1-6(5-10)3-8(7)11(12)13/h1-3H,4H2
InChI Key:
CBOHDANLUOKOSV-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.