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1167056-35-0 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde, 5-chloro-
CAS No: 1167056-35-0 Catalog No: AG000D37 MDL No:
Product Description
Catalog Number:
AG000D37
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxaldehyde, 5-chloro-
CAS Number:
1167056-35-0
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O/c9-8-1-6-5(4-12)2-10-7(6)3-11-8/h1-4,10H
InChI Key:
DFZXAWKVLLHTLG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Cl)nc2
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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