200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 74518-95-9
74518-95-9 | TRANS4TERTBUTYL4NITROSTILBENE
CAS No: 74518-95-9 Catalog No: AG005AT6 MDL No:
Product Description
Catalog Number:
AG005AT6
Chemical Name:
TRANS4TERTBUTYL4NITROSTILBENE
CAS Number:
74518-95-9
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
5-tert-butyl-5-nitro-2-(2-phenylethenyl)cyclohexa-1,3-diene
InChI:
InChI=1S/C18H21NO2/c1-17(2,3)18(19(20)21)13-11-16(12-14-18)10-9-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChI Key:
YKIQCYUCPYZOSV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(CC=C(C=C1)/C=C/c1ccccc1)C(C)(C)C
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.