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Home > Aldehydes > 1228957-10-5
1228957-10-5 | 4-Pyridinecarboxaldehyde, 2-chloro-, hydrate (1:1)
CAS No: 1228957-10-5 Catalog No: AG000JQ8 MDL No:MFCD16618978
Product Description
Catalog Number:
AG000JQ8
Chemical Name:
4-Pyridinecarboxaldehyde, 2-chloro-, hydrate (1:1)
CAS Number:
1228957-10-5
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD16618978
IUPAC Name:
2-chloropyridine-4-carbaldehyde;hydrate
InChI:
InChI=1S/C6H4ClNO.H2O/c7-6-3-5(4-9)1-2-8-6;/h1-4H;1H2
InChI Key:
IUEHOWDJTNSQFB-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)Cl.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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