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Home > Aldehydes > 1015610-39-5
1015610-39-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-chloro-
CAS No: 1015610-39-5 Catalog No: AG0004SV MDL No:MFCD09965890
Product Description
Catalog Number:
AG0004SV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-chloro-
CAS Number:
1015610-39-5
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD09965890
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11)
InChI Key:
PHZFFVFGFZWMFD-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)cnc2c1cc[nH]2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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