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Home > Aldehydes > 1167055-37-9
1167055-37-9 | 1H-Indole-4-carboxaldehyde, 7-chloro-
CAS No: 1167055-37-9 Catalog No: AG000D1D MDL No:MFCD11845604
Product Description
Catalog Number:
AG000D1D
Chemical Name:
1H-Indole-4-carboxaldehyde, 7-chloro-
CAS Number:
1167055-37-9
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD11845604
IUPAC Name:
7-chloro-1H-indole-4-carbaldehyde
InChI:
InChI=1S/C9H6ClNO/c10-8-2-1-6(5-12)7-3-4-11-9(7)8/h1-5,11H
InChI Key:
IREPJTYUCHCYLI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1cc[nH]2)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:
2.1
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