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126190-14-5

126190-14-5 | Benzenethiol, 2,3-dibromo-

CAS No: 126190-14-5 Catalog No: AG000S4S MDL No:

Product Description

Catalog Number:
AG000S4S
Chemical Name:
Benzenethiol, 2,3-dibromo-
CAS Number:
126190-14-5
Molecular Formula:
C6H4Br2S
Molecular Weight:
267.9690
IUPAC Name:
2,3-dibromobenzenethiol
InChI:
InChI=1S/C6H4Br2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChI Key:
NQPQDEPVFYQVMC-UHFFFAOYSA-N
SMILES:
Brc1c(S)cccc1Br

Properties

Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.838g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.966g/mol
Monoisotopic Mass:
265.84g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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