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1208077-90-0 | 4-Bromo-5-chloro-2-methoxybenzenethiol
CAS No: 1208077-90-0 Catalog No: AG01FCKE MDL No:MFCD12026209
Product Description
Catalog Number:
AG01FCKE
Chemical Name:
4-Bromo-5-chloro-2-methoxybenzenethiol
CAS Number:
1208077-90-0
Molecular Formula:
C7H6BrClOS
Molecular Weight:
253.5439
MDL Number:
MFCD12026209
IUPAC Name:
4-bromo-5-chloro-2-methoxybenzenethiol
InChI:
InChI=1S/C7H6BrClOS/c1-10-6-2-4(8)5(9)3-7(6)11/h2-3,11H,1H3
InChI Key:
CKAPQVCJLRVVTG-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1S)Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.901g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.538g/mol
Monoisotopic Mass:
251.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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