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Home > Aldehydes > 849035-76-3
849035-76-3 | 4-Chloro-2-(methylsulfonyl);benzaldehyde
CAS No: 849035-76-3 Catalog No: AG004Q1J MDL No:MFCD04037946
Product Description
Catalog Number:
AG004Q1J
Chemical Name:
4-Chloro-2-(methylsulfonyl);benzaldehyde
CAS Number:
849035-76-3
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD04037946
IUPAC Name:
4-chloro-2-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7ClO3S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChI Key:
LYCOENXVGOGBIL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S(=O)(=O)C)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.651g/mol
Monoisotopic Mass:
217.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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