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Home > Bromides > 1379365-49-7
1379365-49-7 | 4-Thiazolecarbonitrile, 2-bromo-5-methyl-
CAS No: 1379365-49-7 Catalog No: AG0017O4 MDL No:
Product Description
Catalog Number:
AG0017O4
Chemical Name:
4-Thiazolecarbonitrile, 2-bromo-5-methyl-
CAS Number:
1379365-49-7
Molecular Formula:
C5H3BrN2S
Molecular Weight:
203.0597
IUPAC Name:
2-bromo-5-methyl-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H3BrN2S/c1-3-4(2-7)8-5(6)9-3/h1H3
InChI Key:
BQMPVBMMGTVOKQ-UHFFFAOYSA-N
SMILES:
N#Cc1nc(sc1C)Br
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.057g/mol
Monoisotopic Mass:
201.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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