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Home > Aldehydes > 1171826-50-8
1171826-50-8 | 2-Chloro-4-(methylsulfonyl)benzaldehyde hydrate
CAS No: 1171826-50-8 Catalog No: AG01F39G MDL No:
Product Description
Catalog Number:
AG01F39G
Chemical Name:
2-Chloro-4-(methylsulfonyl)benzaldehyde hydrate
CAS Number:
1171826-50-8
Molecular Formula:
C8H9ClO4S
Molecular Weight:
236.6727
IUPAC Name:
2-chloro-4-methylsulfonylbenzaldehyde;hydrate
InChI:
InChI=1S/C8H7ClO3S.H2O/c1-13(11,12)7-3-2-6(5-10)8(9)4-7;/h2-5H,1H3;1H2
InChI Key:
QFOMSQSGICPTDE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)S(=O)(=O)C.O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.666g/mol
Monoisotopic Mass:
235.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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