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101349-83-1 | Benzaldehyde, 3-chloro-4-(methylsulfonyl)-
CAS No: 101349-83-1 Catalog No: AG00049T MDL No:
Product Description
Catalog Number:
AG00049T
Chemical Name:
Benzaldehyde, 3-chloro-4-(methylsulfonyl)-
CAS Number:
101349-83-1
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
IUPAC Name:
3-chloro-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7ClO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
BKKXQNYUVCDQRJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)S(=O)(=O)C
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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