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38185-19-2 | 4-(Methylthio)benzyl bromide
CAS No: 38185-19-2 Catalog No: AG003K9I MDL No:MFCD05865196
Product Description
Catalog Number:
AG003K9I
Chemical Name:
4-(Methylthio)benzyl bromide
CAS Number:
38185-19-2
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
MDL Number:
MFCD05865196
IUPAC Name:
1-(bromomethyl)-4-methylsulfanylbenzene
InChI:
InChI=1S/C8H9BrS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:
QDLKMRTVELBKFE-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)SC
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.124g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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