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Home > Bromides > 1208075-31-3
1208075-31-3 | 4-Bromo-3-chloro-2-methylbenzenethiol
CAS No: 1208075-31-3 Catalog No: AG01FCYH MDL No:MFCD12026188
Product Description
Catalog Number:
AG01FCYH
Chemical Name:
4-Bromo-3-chloro-2-methylbenzenethiol
CAS Number:
1208075-31-3
Molecular Formula:
C7H6BrClS
Molecular Weight:
237.5445
MDL Number:
MFCD12026188
IUPAC Name:
4-bromo-3-chloro-2-methylbenzenethiol
InChI:
InChI=1S/C7H6BrClS/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,1H3
InChI Key:
ZCQRFKLYECFOPS-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1C)Cl)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.906g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.539g/mol
Monoisotopic Mass:
235.906g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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