Home Other Building Blocks 2-Bromophenylthioacetic acid

2-Bromophenylthioacetic acid

CAS No.:
15939-85-2
Catalog Number:
AG01DUBZ
Molecular Formula:
C8H7BrO2S
Molecular Weight:
247.1090
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$598
- +
5g
98%
1 week
United States
$1719
- +
Product Description
Catalog Number:
AG01DUBZ
Chemical Name:
2-Bromophenylthioacetic acid
CAS Number:
15939-85-2
Molecular Formula:
C8H7BrO2S
Molecular Weight:
247.1090
MDL Number:
MFCD03152442
IUPAC Name:
2-(2-bromophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H7BrO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
KQUNWFXSYMIICT-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccccc1Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.935g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.106g/mol
Monoisotopic Mass:
245.935g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties