200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 57780-75-3
57780-75-3 | 2-Nitro-5-(propylthio);aniline
CAS No: 57780-75-3 Catalog No: AG003CR5 MDL No:MFCD00192355
Product Description
Catalog Number:
AG003CR5
Chemical Name:
2-Nitro-5-(propylthio);aniline
CAS Number:
57780-75-3
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD00192355
IUPAC Name:
2-nitro-5-propylsulfanylaniline
InChI:
InChI=1S/C9H12N2O2S/c1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-4,6H,2,5,10H2,1H3
InChI Key:
NLCPQMUVBQILMA-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^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.