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117341-27-2 | 1-Bromo-2-[(2-methoxyethyl)thio]benzene
CAS No: 117341-27-2 Catalog No: AG01EQV1 MDL No:
Product Description
Catalog Number:
AG01EQV1
Chemical Name:
1-Bromo-2-[(2-methoxyethyl)thio]benzene
CAS Number:
117341-27-2
Molecular Formula:
C9H11BrOS
Molecular Weight:
247.1520
IUPAC Name:
1-bromo-2-(2-methoxyethylsulfanyl)benzene
InChI:
InChI=1S/C9H11BrOS/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChI Key:
GWLZKNHBZXUIBY-UHFFFAOYSA-N
SMILES:
COCCSc1ccccc1Br
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.971g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.15g/mol
Monoisotopic Mass:
245.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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