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934816-43-0 | CarbaMic acid, N-3H-iMidazo[4,5-c]pyridin-4-yl-, 1,1-diMethylethyl ester
CAS No: 934816-43-0 Catalog No: AG00GU2A MDL No:
Product Description
Catalog Number:
AG00GU2A
Chemical Name:
CarbaMic acid, N-3H-iMidazo[4,5-c]pyridin-4-yl-, 1,1-diMethylethyl ester
CAS Number:
934816-43-0
Molecular Formula:
C11H14N4O2
Molecular Weight:
234.2545
IUPAC Name:
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
InChI:
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)15-9-8-7(4-5-12-9)13-6-14-8/h4-6H,1-3H3,(H,13,14)(H,12,15,16)
InChI Key:
WUULPJCPVQBJNO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc2c1[nH]cn2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.259g/mol
Monoisotopic Mass:
234.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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