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1017781-52-0 | 2-Thiazolecarbonitrile, 4-bromo-
CAS No: 1017781-52-0 Catalog No: AG0005HU MDL No:MFCD09607690
Product Description
Catalog Number:
AG0005HU
Chemical Name:
2-Thiazolecarbonitrile, 4-bromo-
CAS Number:
1017781-52-0
Molecular Formula:
C4HBrN2S
Molecular Weight:
189.0331
MDL Number:
MFCD09607690
IUPAC Name:
4-bromo-1,3-thiazole-2-carbonitrile
InChI:
InChI=1S/C4HBrN2S/c5-3-2-8-4(1-6)7-3/h2H
InChI Key:
WFYKPCQOWNXQCK-UHFFFAOYSA-N
SMILES:
Brc1csc(n1)C#N
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.904g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.03g/mol
Monoisotopic Mass:
187.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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