200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87200-48-4
87200-48-4 | Phenol,4-isothiocyanato-3-nitro-
CAS No: 87200-48-4 Catalog No: AG004N2N MDL No:
Product Description
Catalog Number:
AG004N2N
Chemical Name:
Phenol,4-isothiocyanato-3-nitro-
CAS Number:
87200-48-4
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
IUPAC Name:
4-isothiocyanato-3-nitrophenol
InChI:
InChI=1S/C7H4N2O3S/c10-5-1-2-6(8-4-13)7(3-5)9(11)12/h1-3,10H
InChI Key:
ZIQUBPCXPIDWOA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1[N+](=O)[O-])O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.