Home Halogens 4-[(4-bromophenyl)sulfanyl]butanoic acid

4-[(4-bromophenyl)sulfanyl]butanoic acid

CAS No.:
15115-76-1
Catalog Number:
AG01AGPR
Molecular Formula:
C10H11BrO2S
Molecular Weight:
275.1621
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Product Description
Catalog Number:
AG01AGPR
Chemical Name:
4-[(4-bromophenyl)sulfanyl]butanoic acid
CAS Number:
15115-76-1
Molecular Formula:
C10H11BrO2S
Molecular Weight:
275.1621
MDL Number:
MFCD09721737
IUPAC Name:
4-(4-bromophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11BrO2S/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChI Key:
QHQKCTPXHCXNAR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1ccc(cc1)Br
NSC Number:
125375
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.966g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.16g/mol
Monoisotopic Mass:
273.966g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties