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38441-47-3 | 2,5-Dibromobenzenethiol
CAS No: 38441-47-3 Catalog No: AG01EVRQ MDL No:MFCD00068901
Product Description
Catalog Number:
AG01EVRQ
Chemical Name:
2,5-Dibromobenzenethiol
CAS Number:
38441-47-3
Molecular Formula:
C6H4Br2S
Molecular Weight:
267.9690
MDL Number:
MFCD00068901
IUPAC Name:
2,5-dibromobenzenethiol
InChI:
InChI=1S/C6H4Br2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI Key:
ZUAMDMWZDFEYFG-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S)Br
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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