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90908-52-4

90908-52-4 | 1,3-Butadiene, 1,2-dibromo-3,4,4-trichloro-1-(methylsulfinyl)-

CAS No: 90908-52-4 Catalog No: AG006GOF MDL No:

Product Description

Catalog Number:
AG006GOF
Chemical Name:
1,3-Butadiene, 1,2-dibromo-3,4,4-trichloro-1-(methylsulfinyl)-
CAS Number:
90908-52-4
Molecular Formula:
C5H3Br2Cl3OS
Molecular Weight:
377.3087
IUPAC Name:
1,2-dibromo-3,4,4-trichloro-1-methylsulfinylbuta-1,3-diene
InChI:
InChI=1S/C5H3Br2Cl3OS/c1-12(11)4(7)2(6)3(8)5(9)10/h1H3
InChI Key:
UNQKJESIHNSLMO-UHFFFAOYSA-N
SMILES:
ClC(=C(C(=C(S(=O)C)Br)Br)Cl)Cl

Properties

Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.732g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.296g/mol
Monoisotopic Mass:
373.734g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.5  

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