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53590-49-1 | 5-CHLORO-1H-INDOLE-2-CARBALDEHYDE
CAS No: 53590-49-1 Catalog No: AG00D8UW MDL No:MFCD06800428
Product Description
Catalog Number:
AG00D8UW
Chemical Name:
5-CHLORO-1H-INDOLE-2-CARBALDEHYDE
CAS Number:
53590-49-1
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD06800428
IUPAC Name:
5-chloro-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-5,11H
InChI Key:
ZFWBIHAXMSSQOO-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c([nH]1)ccc(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:
2.5
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