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741253-03-2 | 6-Bromobenzo[d]thiazole-2-carbonitrile
CAS No: 741253-03-2 Catalog No: AG005HGX MDL No:MFCD11217379
Product Description
Catalog Number:
AG005HGX
Chemical Name:
6-Bromobenzo[d]thiazole-2-carbonitrile
CAS Number:
741253-03-2
Molecular Formula:
C8H3BrN2S
Molecular Weight:
239.0918
MDL Number:
MFCD11217379
IUPAC Name:
6-bromo-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H3BrN2S/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H
InChI Key:
LITDULGWAMMAPE-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)cc(cc2)Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.09g/mol
Monoisotopic Mass:
237.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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