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Home > Aldehydes > 954112-61-9
954112-61-9 | 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS No: 954112-61-9 Catalog No: AG006NHF MDL No:MFCD12962789
Product Description
Catalog Number:
AG006NHF
Chemical Name:
5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS Number:
954112-61-9
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD12962789
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-4H,(H,10,11)
InChI Key:
NKTDCYOZPANZSE-UHFFFAOYSA-N
SMILES:
Clc1cc2c(C=O)c[nH]c2nc1
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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