200,000+ products from a single source!
sales@angenechem.com
100873-14-1 | Phenol, 4,4'-(2,2,2-trichloroethylidene)bis[2-nitro-
CAS No: 100873-14-1 Catalog No: AG00032G MDL No:
Product Description
Catalog Number:
AG00032G
Chemical Name:
Phenol, 4,4'-(2,2,2-trichloroethylidene)bis[2-nitro-
CAS Number:
100873-14-1
Molecular Formula:
C14H9Cl3N2O6
Molecular Weight:
407.5901
IUPAC Name:
2-nitro-4-[2,2,2-trichloro-1-(4-hydroxy-3-nitrophenyl)ethyl]phenol
InChI:
InChI=1S/C14H9Cl3N2O6/c15-14(16,17)13(7-1-3-11(20)9(5-7)18(22)23)8-2-4-12(21)10(6-8)19(24)25/h1-6,13,20-21H
InChI Key:
JKRAQDSEBALHRP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)C(C(Cl)(Cl)Cl)c1ccc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.953g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.584g/mol
Monoisotopic Mass:
405.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.