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740842-66-4 | Ethyl 4-[(3-bromophenyl)sulfanyl]butanoate
CAS No: 740842-66-4 Catalog No: AG01FBEZ MDL No:MFCD26792640
Product Description
Catalog Number:
AG01FBEZ
Chemical Name:
Ethyl 4-[(3-bromophenyl)sulfanyl]butanoate
CAS Number:
740842-66-4
Molecular Formula:
C12H15BrO2S
Molecular Weight:
303.2153
MDL Number:
MFCD26792640
IUPAC Name:
ethyl 4-(3-bromophenyl)sulfanylbutanoate
InChI:
InChI=1S/C12H15BrO2S/c1-2-15-12(14)7-4-8-16-11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3
InChI Key:
JDRGFVUVROZHAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCSc1cccc(c1)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.214g/mol
Monoisotopic Mass:
301.998g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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