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Home > Aldehydes > 1351613-88-1
1351613-88-1 | 3-Chloro-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS No: 1351613-88-1 Catalog No: AG01APL0 MDL No:MFCD22587539
Product Description
Catalog Number:
AG01APL0
Chemical Name:
3-Chloro-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CAS Number:
1351613-88-1
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
MDL Number:
MFCD22587539
IUPAC Name:
3-chloro-2H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C7H4ClN3O/c8-6-5-1-4(3-12)2-9-7(5)11-10-6/h1-3H,(H,9,10,11)
InChI Key:
JVYVXXHBRGOOQM-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c2c1cc(C=O)cn2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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