200,000+ products from a single source!
sales@angenechem.com
20076-99-7 | Benzoic acid, 2-[(2-bromophenyl)thio]-5-nitro-
CAS No: 20076-99-7 Catalog No: AG01FA5Y MDL No:
Product Description
Catalog Number:
AG01FA5Y
Chemical Name:
Benzoic acid, 2-[(2-bromophenyl)thio]-5-nitro-
CAS Number:
20076-99-7
Molecular Formula:
C13H8BrNO4S
Molecular Weight:
354.1759
IUPAC Name:
2-(2-bromophenyl)sulfanyl-5-nitrobenzoic acid
InChI:
InChI=1S/C13H8BrNO4S/c14-10-3-1-2-4-12(10)20-11-6-5-8(15(18)19)7-9(11)13(16)17/h1-7H,(H,16,17)
InChI Key:
CRGGQONXAXPKGC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Sc1ccccc1Br)[N+](=O)[O-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.936g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.174g/mol
Monoisotopic Mass:
352.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.