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14667-59-5 | Benzoic acid, 2-chloro-5-nitro-, sodium salt (1:1)
CAS No: 14667-59-5 Catalog No: AG001E80 MDL No:
Product Description
Catalog Number:
AG001E80
Chemical Name:
Benzoic acid, 2-chloro-5-nitro-, sodium salt (1:1)
CAS Number:
14667-59-5
Molecular Formula:
C7H3ClNNaO4
Molecular Weight:
223.5458
IUPAC Name:
sodium;2-chloro-5-nitrobenzoate
InChI:
InChI=1S/C7H4ClNO4.Na/c8-6-2-1-4(9(12)13)3-5(6)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChI Key:
ICIAGWRJFCQQLZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1cc(ccc1Cl)[N+](=O)[O-].[Na+]
EC Number:
238-713-6
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.965g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.544g/mol
Monoisotopic Mass:
222.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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