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16405-99-5 | 2,1,3-Benzothiadiazole, 4-(bromomethyl)-
CAS No: 16405-99-5 Catalog No: AG001ULR MDL No:MFCD00457946
Product Description
Catalog Number:
AG001ULR
Chemical Name:
2,1,3-Benzothiadiazole, 4-(bromomethyl)-
CAS Number:
16405-99-5
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
MDL Number:
MFCD00457946
IUPAC Name:
4-(bromomethyl)-2,1,3-benzothiadiazole
InChI:
InChI=1S/C7H5BrN2S/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4H2
InChI Key:
QKHNCECWIKLSSV-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1nsn2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.936g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.095g/mol
Monoisotopic Mass:
227.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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