200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1019562-08-3
1019562-08-3 | 5-nitro-2-(propylsulfanyl)benzoic acid
CAS No: 1019562-08-3 Catalog No: AG01A5MQ MDL No:MFCD11136048
Product Description
Catalog Number:
AG01A5MQ
Chemical Name:
5-nitro-2-(propylsulfanyl)benzoic acid
CAS Number:
1019562-08-3
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD11136048
IUPAC Name:
5-nitro-2-propylsulfanylbenzoic acid
InChI:
InChI=1S/C10H11NO4S/c1-2-5-16-9-4-3-7(11(14)15)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChI Key:
LPCHMVSSQVKJPS-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^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.