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127971-62-4 | 1H-Benzimidazole-5-carboxylic acid, 1-(1-ethylpropyl)-2,6-dimethyl-7-nitro-
CAS No: 127971-62-4 Catalog No: AG000XLN MDL No:
Product Description
Catalog Number:
AG000XLN
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 1-(1-ethylpropyl)-2,6-dimethyl-7-nitro-
CAS Number:
127971-62-4
Molecular Formula:
C15H19N3O4
Molecular Weight:
305.3291
IUPAC Name:
2,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C15H19N3O4/c1-5-10(6-2)17-9(4)16-12-7-11(15(19)20)8(3)13(14(12)17)18(21)22/h7,10H,5-6H2,1-4H3,(H,19,20)
InChI Key:
MUDHIGKTXPXFCL-UHFFFAOYSA-N
SMILES:
CCC(n1c(C)nc2c1c([N+](=O)[O-])c(c(c2)C(=O)O)C)CC
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.334g/mol
Monoisotopic Mass:
305.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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