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876-72-2 | 4-Chloroindole-3-carbaldehyde
CAS No: 876-72-2 Catalog No: AG004O02 MDL No:MFCD05864704
Product Description
Catalog Number:
AG004O02
Chemical Name:
4-Chloroindole-3-carbaldehyde
CAS Number:
876-72-2
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD05864704
IUPAC Name:
4-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChI Key:
MSYJFNQAVTYKOP-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Cl)ccc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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