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Home > Aldehydes > 1628557-03-8
1628557-03-8 | 4-Pyridinecarboxaldehyde, 3-chloro-, hydrate (1:1)
CAS No: 1628557-03-8 Catalog No: AG001THU MDL No:MFCD28134601
Product Description
Catalog Number:
AG001THU
Chemical Name:
4-Pyridinecarboxaldehyde, 3-chloro-, hydrate (1:1)
CAS Number:
1628557-03-8
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD28134601
IUPAC Name:
3-chloropyridine-4-carbaldehyde;hydrate
InChI:
InChI=1S/C6H4ClNO.H2O/c7-6-3-8-2-1-5(6)4-9;/h1-4H;1H2
InChI Key:
CLBRTCWKQMQPIM-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1Cl.O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/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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