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Home > Aldehydes > 1196156-07-6
1196156-07-6 | 4-Pyridinecarboxaldehyde, 2-chloro-3-fluoro-, hydrate (1:1)
CAS No: 1196156-07-6 Catalog No: AG000PCW MDL No:MFCD06657826
Product Description
Catalog Number:
AG000PCW
Chemical Name:
4-Pyridinecarboxaldehyde, 2-chloro-3-fluoro-, hydrate (1:1)
CAS Number:
1196156-07-6
Molecular Formula:
C6H5ClFNO2
Molecular Weight:
177.5608
MDL Number:
MFCD06657826
IUPAC Name:
2-chloro-3-fluoropyridine-4-carbaldehyde;hydrate
InChI:
InChI=1S/C6H3ClFNO.H2O/c7-6-5(8)4(3-10)1-2-9-6;/h1-3H;1H2
InChI Key:
HLMKXEOYZMLNJQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1F)Cl.O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.559g/mol
Monoisotopic Mass:
176.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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