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74496-09-6 | Benzoic acid,2-amino-5-nitro-, sodium salt (1:1)
CAS No: 74496-09-6 Catalog No: AG005AU0 MDL No:
Product Description
Catalog Number:
AG005AU0
Chemical Name:
Benzoic acid,2-amino-5-nitro-, sodium salt (1:1)
CAS Number:
74496-09-6
Molecular Formula:
C7H5N2NaO4
Molecular Weight:
204.1154
IUPAC Name:
sodium;2-amino-5-nitrobenzoate
InChI:
InChI=1S/C7H6N2O4.Na/c8-6-2-1-4(9(12)13)3-5(6)7(10)11;/h1-3H,8H2,(H,10,11);/q;+1/p-1
InChI Key:
APDQERPTRWONCE-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1cc(ccc1N)[N+](=O)[O-].[Na+]
EC Number:
277-886-2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.117g/mol
Monoisotopic Mass:
204.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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