200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 855403-49-5
855403-49-5 | Phenol, 4-butyl-2-[(4-nitrophenyl)azo]-
CAS No: 855403-49-5 Catalog No: AG004UR0 MDL No:
Product Description
Catalog Number:
AG004UR0
Chemical Name:
Phenol, 4-butyl-2-[(4-nitrophenyl)azo]-
CAS Number:
855403-49-5
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
IUPAC Name:
4-butyl-2-[(4-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C16H17N3O3/c1-2-3-4-12-5-10-16(20)15(11-12)18-17-13-6-8-14(9-7-13)19(21)22/h5-11,20H,2-4H2,1H3
InChI Key:
VWZXEJVTCXVZPO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)N=Nc1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.