200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 78245-98-4
78245-98-4 | Benzoic acid, 3-azido-5-nitro-
CAS No: 78245-98-4 Catalog No: AG005NIC MDL No:
Product Description
Catalog Number:
AG005NIC
Chemical Name:
Benzoic acid, 3-azido-5-nitro-
CAS Number:
78245-98-4
Molecular Formula:
C7H4N4O4
Molecular Weight:
208.1311
IUPAC Name:
3-azido-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4N4O4/c8-10-9-5-1-4(7(12)13)2-6(3-5)11(14)15/h1-3H,(H,12,13)
InChI Key:
YPAREQAMYDXBET-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.133g/mol
Monoisotopic Mass:
208.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.