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Home > Aldehydes > 1216086-64-4
1216086-64-4 | 2-Benzothiazolecarboxaldehyde, 6-bromo-
CAS No: 1216086-64-4 Catalog No: AG0015ED MDL No:MFCD12403635
Product Description
Catalog Number:
AG0015ED
Chemical Name:
2-Benzothiazolecarboxaldehyde, 6-bromo-
CAS Number:
1216086-64-4
Molecular Formula:
C8H4BrNOS
Molecular Weight:
242.0925
MDL Number:
MFCD12403635
IUPAC Name:
6-bromo-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C8H4BrNOS/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-4H
InChI Key:
KAVAAQYEODWJQX-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)cc(cc2)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.09g/mol
Monoisotopic Mass:
240.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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