200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 85071-27-8
85071-27-8 | Thiocyanic acid, (2-nitrophenyl)methyl ester
CAS No: 85071-27-8 Catalog No: AG004OOU MDL No:MFCD00099004
Product Description
Catalog Number:
AG004OOU
Chemical Name:
Thiocyanic acid, (2-nitrophenyl)methyl ester
CAS Number:
85071-27-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD00099004
IUPAC Name:
(2-nitrophenyl)methyl thiocyanate
InChI:
InChI=1S/C8H6N2O2S/c9-6-13-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2
InChI Key:
SHJGYANAAZYMGZ-UHFFFAOYSA-N
SMILES:
N#CSCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.