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126190-12-3

126190-12-3 | Benzenethiol, 3,4-dibromo-

CAS No: 126190-12-3 Catalog No: AG000S4T MDL No:MFCD12026205

Product Description

Catalog Number:
AG000S4T
Chemical Name:
Benzenethiol, 3,4-dibromo-
CAS Number:
126190-12-3
Molecular Formula:
C6H4Br2S
Molecular Weight:
267.9690
MDL Number:
MFCD12026205
IUPAC Name:
3,4-dibromobenzenethiol
InChI:
InChI=1S/C6H4Br2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:
YCDUVMUODNTCRB-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)Br)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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