Home Halogens Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, sodiumsalt

Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, sodiumsalt

CAS No.:
62476-59-9
Catalog Number:
AG00IB11
Molecular Formula:
C14H6ClF3NNaO5
Molecular Weight:
383.6391
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Product Description
Catalog Number:
AG00IB11
Chemical Name:
Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, sodiumsalt
CAS Number:
62476-59-9
Molecular Formula:
C14H6ClF3NNaO5
Molecular Weight:
383.6391
MDL Number:
MFCD00137378
IUPAC Name:
sodium;5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
InChI:
InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1
InChI Key:
RVULBHWZFCBODE-UHFFFAOYSA-M
SMILES:
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(F)(F)F.[Na+]
EC Number:
263-560-7
UNII:
6H07I1G902
UN Number:
2588
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.978g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.639g/mol
Monoisotopic Mass:
382.978g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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