Home Halogens 1H-Indole-4-carboxaldehyde, 3-chloro-

1H-Indole-4-carboxaldehyde, 3-chloro-

CAS No.:
1216113-27-7
Catalog Number:
AG0015EA
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
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Product Description
Catalog Number:
AG0015EA
Chemical Name:
1H-Indole-4-carboxaldehyde, 3-chloro-
CAS Number:
1216113-27-7
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD12402552
IUPAC Name:
3-chloro-1H-indole-4-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-7-4-11-8-3-1-2-6(5-12)9(7)8/h1-5,11H
InChI Key:
YNUGQROAODSSTJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1c(Cl)c[nH]2
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  
Properties