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119256-78-9

119256-78-9 | 1H-Imidazole-5-acetic acid, 2-butyl-4-chloro-1-[(2-nitrophenyl)methyl]-, sodium salt (1:1)

CAS No: 119256-78-9 Catalog No: AG000IGQ MDL No:

Product Description

Catalog Number:
AG000IGQ
Chemical Name:
1H-Imidazole-5-acetic acid, 2-butyl-4-chloro-1-[(2-nitrophenyl)methyl]-, sodium salt (1:1)
CAS Number:
119256-78-9
Molecular Formula:
C16H17ClN3NaO4
Molecular Weight:
373.7666
IUPAC Name:
sodium;2-[2-butyl-5-chloro-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetate
InChI:
InChI=1S/C16H18ClN3O4.Na/c1-2-3-8-14-18-16(17)13(9-15(21)22)19(14)10-11-6-4-5-7-12(11)20(23)24;/h4-7H,2-3,8-10H2,1H3,(H,21,22);/q;+1/p-1
InChI Key:
IOLLRZYQFFZPKF-UHFFFAOYSA-M
SMILES:
CCCCc1nc(c(n1Cc1ccccc1[N+](=O)[O-])CC(=O)[O-])Cl.[Na+]

Properties

Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.081g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.769g/mol
Monoisotopic Mass:
373.081g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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