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Home > Aldehydes > 885279-64-1
885279-64-1 | 5-Bromobenzothiazole-2-carbaldehyde
CAS No: 885279-64-1 Catalog No: AG004598 MDL No:MFCD06738771
Product Description
Catalog Number:
AG004598
Chemical Name:
5-Bromobenzothiazole-2-carbaldehyde
CAS Number:
885279-64-1
Molecular Formula:
C8H4BrNOS
Molecular Weight:
242.0925
MDL Number:
MFCD06738771
IUPAC Name:
5-bromo-1,3-benzothiazole-2-carbaldehyde
InChI:
InChI=1S/C8H4BrNOS/c9-5-1-2-7-6(3-5)10-8(4-11)12-7/h1-4H
InChI Key:
NQPMLGVPEPOVRW-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(s1)ccc(c2)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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