Home Other Building Blocks 5-BROMO-2,1-BENZOTHIAZOLE-3-CARBOXYLIC ACID

5-BROMO-2,1-BENZOTHIAZOLE-3-CARBOXYLIC ACID

CAS No.:
1367452-90-1
Catalog Number:
AG01DVXH
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
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Product Description
Catalog Number:
AG01DVXH
Chemical Name:
5-BROMO-2,1-BENZOTHIAZOLE-3-CARBOXYLIC ACID
CAS Number:
1367452-90-1
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
MDL Number:
MFCD21642232
IUPAC Name:
5-bromo-2,1-benzothiazole-3-carboxylic acid
InChI:
InChI=1S/C8H4BrNO2S/c9-4-1-2-6-5(3-4)7(8(11)12)13-10-6/h1-3H,(H,11,12)
InChI Key:
XALPQVGTZQNXCH-UHFFFAOYSA-N
SMILES:
OC(=O)c1snc2c1cc(Br)cc2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.915g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.089g/mol
Monoisotopic Mass:
256.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties