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113270-70-5 | 1H-Imidazo[4,5-b]pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 113270-70-5 Catalog No: AG00823C MDL No:
Product Description
Catalog Number:
AG00823C
Chemical Name:
1H-Imidazo[4,5-b]pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
113270-70-5
Molecular Formula:
C16H17N3
Molecular Weight:
251.3263
IUPAC Name:
2-(4-tert-butylphenyl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C16H17N3/c1-16(2,3)12-8-6-11(7-9-12)14-18-13-5-4-10-17-15(13)19-14/h4-10H,1-3H3,(H,17,18,19)
InChI Key:
VASOJJBQYROYDZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nc2c([nH]1)cccn2)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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