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69321-56-8

69321-56-8 | 5-Bromo-2-methylbenzene-1-sulfonyl chloride

CAS No: 69321-56-8 Catalog No: AG006GEU MDL No:MFCD06655596

Product Description

Catalog Number:
AG006GEU
Chemical Name:
5-Bromo-2-methylbenzene-1-sulfonyl chloride
CAS Number:
69321-56-8
Molecular Formula:
C7H6BrClO2S
Molecular Weight:
269.5433
MDL Number:
MFCD06655596
IUPAC Name:
5-bromo-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3
InChI Key:
OYSAFEFFWRNQJF-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S(=O)(=O)Cl)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.896g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.537g/mol
Monoisotopic Mass:
267.896g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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