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99839-25-5 | Benzenethiol, 4-bromo-2-chloro-
CAS No: 99839-25-5 Catalog No: AG003W1D MDL No:MFCD12026136
Product Description
Catalog Number:
AG003W1D
Chemical Name:
Benzenethiol, 4-bromo-2-chloro-
CAS Number:
99839-25-5
Molecular Formula:
C6H4BrClS
Molecular Weight:
223.5180
MDL Number:
MFCD12026136
IUPAC Name:
4-bromo-2-chlorobenzenethiol
InChI:
InChI=1S/C6H4BrClS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChI Key:
VZQDBNWKBKWCFJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)S
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.891g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.512g/mol
Monoisotopic Mass:
221.891g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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