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703-82-2 | 6-Chloro-1H-indole-3-carbaldehyde
CAS No: 703-82-2 Catalog No: AG005VA4 MDL No:MFCD06657152
Product Description
Catalog Number:
AG005VA4
Chemical Name:
6-Chloro-1H-indole-3-carbaldehyde
CAS Number:
703-82-2
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD06657152
IUPAC Name:
6-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
InChI Key:
CTNIXLBHXMSZKL-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)Cl
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:
2.3
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