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84138-31-8 | N-[[6-CHLORO-2-[(4-NITROPHENOXY)METHYL]BENZOIMIDAZOL-1-YL]METHYL]PYRIDIN-4-AMINE
CAS No: 84138-31-8 Catalog No: AG004SHN MDL No:
Product Description
Catalog Number:
AG004SHN
Chemical Name:
N-[[6-CHLORO-2-[(4-NITROPHENOXY)METHYL]BENZOIMIDAZOL-1-YL]METHYL]PYRIDIN-4-AMINE
CAS Number:
84138-31-8
Molecular Formula:
C20H16ClN5O3
Molecular Weight:
409.8257
IUPAC Name:
N-[[6-chloro-2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-4-amine
InChI:
InChI=1S/C20H16ClN5O3/c21-14-1-6-18-19(11-14)25(13-23-15-7-9-22-10-8-15)20(24-18)12-29-17-4-2-16(3-5-17)26(27)28/h1-11H,12-13H2,(H,22,23)
InChI Key:
YFXIGCJBTANSHA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(CNc1ccncc1)c(n2)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.094g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.83g/mol
Monoisotopic Mass:
409.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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