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192801-40-4 | 6-Benzothiazoleacetic acid, 2-(bromomethyl)-
CAS No: 192801-40-4 Catalog No: AG002GCL MDL No:
Product Description
Catalog Number:
AG002GCL
Chemical Name:
6-Benzothiazoleacetic acid, 2-(bromomethyl)-
CAS Number:
192801-40-4
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
IUPAC Name:
2-[2-(bromomethyl)-1,3-benzothiazol-6-yl]acetic acid
InChI:
InChI=1S/C10H8BrNO2S/c11-5-9-12-7-2-1-6(4-10(13)14)3-8(7)15-9/h1-3H,4-5H2,(H,13,14)
InChI Key:
MDCDQHHBZRDDIB-UHFFFAOYSA-N
SMILES:
BrCc1nc2c(s1)cc(cc2)CC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.143g/mol
Monoisotopic Mass:
284.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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