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1008-07-7 | 1H-Indole-3-carboxaldehyde, 7-chloro-
CAS No: 1008-07-7 Catalog No: AG0002WR MDL No:MFCD06657153
Product Description
Catalog Number:
AG0002WR
Chemical Name:
1H-Indole-3-carboxaldehyde, 7-chloro-
CAS Number:
1008-07-7
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD06657153
IUPAC Name:
7-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChI Key:
NHJNOJSRXQVQRT-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cccc2Cl
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
Literature
| Title | Journal |
|---|---|
| Chemical inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury. | Nature chemical biology 20050701 |
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