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Home > Bromides > 1021169-59-4
1021169-59-4 | 1-Bromo-3-[(2-methoxyethyl)thio]-benzene
CAS No: 1021169-59-4 Catalog No: AG01EQLR MDL No:MFCD26142715
Product Description
Catalog Number:
AG01EQLR
Chemical Name:
1-Bromo-3-[(2-methoxyethyl)thio]-benzene
CAS Number:
1021169-59-4
Molecular Formula:
C9H11BrOS
Molecular Weight:
247.1520
MDL Number:
MFCD26142715
IUPAC Name:
1-bromo-3-(2-methoxyethylsulfanyl)benzene
InChI:
InChI=1S/C9H11BrOS/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6H2,1H3
InChI Key:
GVUBXFOZDHZWNZ-UHFFFAOYSA-N
SMILES:
COCCSc1cccc(c1)Br
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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