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Home > Aldehydes > 958230-34-7
958230-34-7 | 4-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
CAS No: 958230-34-7 Catalog No: AG005XDE MDL No:MFCD19440635
Product Description
Catalog Number:
AG005XDE
Chemical Name:
4-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
CAS Number:
958230-34-7
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD19440635
IUPAC Name:
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C9H7ClN2O/c1-5-2-7-8(10)6(4-13)3-11-9(7)12-5/h2-4H,1H3,(H,11,12)
InChI Key:
LDZABRULIBHGMU-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1Cl)cc([nH]2)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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