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304854-52-2 | 2-Thiophenecarbonitrile, 5-bromo-4-methyl-
CAS No: 304854-52-2 Catalog No: AG0030AZ MDL No:
Product Description
Catalog Number:
AG0030AZ
Chemical Name:
2-Thiophenecarbonitrile, 5-bromo-4-methyl-
CAS Number:
304854-52-2
Molecular Formula:
C6H4BrNS
Molecular Weight:
202.0717
IUPAC Name:
5-bromo-4-methylthiophene-2-carbonitrile
InChI:
InChI=1S/C6H4BrNS/c1-4-2-5(3-8)9-6(4)7/h2H,1H3
InChI Key:
LRQOLFHQTKOVQZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(s1)Br)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.925g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.069g/mol
Monoisotopic Mass:
200.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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