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1429200-71-4 | 1-tert-butyl-6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS No: 1429200-71-4 Catalog No: AG01EMBZ MDL No:MFCD31616462
Product Description
Catalog Number:
AG01EMBZ
Chemical Name:
1-tert-butyl-6-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS Number:
1429200-71-4
Molecular Formula:
C12H14ClN3O
Molecular Weight:
251.7121
MDL Number:
MFCD31616462
IUPAC Name:
1-tert-butyl-6-chloro-3-methylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C12H14ClN3O/c1-7-9-5-8(6-17)10(13)14-11(9)16(15-7)12(2,3)4/h5-6H,1-4H3
InChI Key:
ZHXZPJKBIOIDDT-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(C)nn(c2nc1Cl)C(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.714g/mol
Monoisotopic Mass:
251.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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