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Home > Aldehydes > 842972-09-2
842972-09-2 | 5-FLUORO-3-METHYL-1H-INDOLE-2-CARBALDEHYDE
CAS No: 842972-09-2 Catalog No: AG008IN2 MDL No:MFCD06011083
Product Description
Catalog Number:
AG008IN2
Chemical Name:
5-FLUORO-3-METHYL-1H-INDOLE-2-CARBALDEHYDE
CAS Number:
842972-09-2
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
MDL Number:
MFCD06011083
IUPAC Name:
5-fluoro-3-methyl-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C10H8FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-5,12H,1H3
InChI Key:
IOXCNOLBLABFGH-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1C)cc(cc2)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.178g/mol
Monoisotopic Mass:
177.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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