Home Sulfos 1-(3-bromopropanesulfonyl)-3-methylbenzene

1-(3-bromopropanesulfonyl)-3-methylbenzene

CAS No.:
1082893-96-6
Catalog Number:
AG01ACCK
Molecular Formula:
C10H13BrO2S
Molecular Weight:
277.1780
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Product Description
Catalog Number:
AG01ACCK
Chemical Name:
1-(3-bromopropanesulfonyl)-3-methylbenzene
CAS Number:
1082893-96-6
Molecular Formula:
C10H13BrO2S
Molecular Weight:
277.1780
MDL Number:
MFCD11615282
IUPAC Name:
1-(3-bromopropylsulfonyl)-3-methylbenzene
InChI:
InChI=1S/C10H13BrO2S/c1-9-4-2-5-10(8-9)14(12,13)7-3-6-11/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
WMLPDQRPGWRUQE-UHFFFAOYSA-N
SMILES:
BrCCCS(=O)(=O)c1cccc(c1)C
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.982g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.176g/mol
Monoisotopic Mass:
275.982g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties