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2795-41-7 | 6-Fluoroindole-3-Carboxaldehyde
CAS No: 2795-41-7 Catalog No: AG0034D0 MDL No:MFCD00069703
Product Description
Catalog Number:
AG0034D0
Chemical Name:
6-Fluoroindole-3-Carboxaldehyde
CAS Number:
2795-41-7
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD00069703
IUPAC Name:
6-fluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
InChI Key:
CWCYUOSLRVAKQZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)F
NSC Number:
96903
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.151g/mol
Monoisotopic Mass:
163.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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