200,000+ products from a single source!

sales@angenechem.com

Home > Aldehydes > 101349-95-5

101349-95-5

101349-95-5 | Benzaldehyde, 2-chloro-4-(methylsulfonyl)-

CAS No: 101349-95-5 Catalog No: AG00049S MDL No:MFCD04037960

Product Description

Catalog Number:
AG00049S
Chemical Name:
Benzaldehyde, 2-chloro-4-(methylsulfonyl)-
CAS Number:
101349-95-5
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD04037960
IUPAC Name:
2-chloro-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7ClO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key:
FSZMGEPPBLUUFS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cl)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  

© 2019 Angene International Limited. All rights Reserved.