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1171920-80-1 | tert-Butyl 3-methyl-3H-imidazo[4,5-b]pyridin-6-ylcarbamate
CAS No: 1171920-80-1 Catalog No: AG00HDVL MDL No:MFCD12922812
Product Description
Catalog Number:
AG00HDVL
Chemical Name:
tert-Butyl 3-methyl-3H-imidazo[4,5-b]pyridin-6-ylcarbamate
CAS Number:
1171920-80-1
Molecular Formula:
C12H16N4O2
Molecular Weight:
248.2810
MDL Number:
MFCD12922812
IUPAC Name:
tert-butyl N-(3-methylimidazo[4,5-b]pyridin-6-yl)carbamate
InChI:
InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)15-8-5-9-10(13-6-8)16(4)7-14-9/h5-7H,1-4H3,(H,15,17)
InChI Key:
VKDSJLDXOOVMGB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cnc2c(c1)ncn2C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.286g/mol
Monoisotopic Mass:
248.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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