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848499-31-0 | 2-Bromothiazole-5-carboxamide
CAS No: 848499-31-0 Catalog No: AG004QSZ MDL No:MFCD09998942
Product Description
Catalog Number:
AG004QSZ
Chemical Name:
2-Bromothiazole-5-carboxamide
CAS Number:
848499-31-0
Molecular Formula:
C4H3BrN2OS
Molecular Weight:
207.0484
MDL Number:
MFCD09998942
IUPAC Name:
2-bromo-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C4H3BrN2OS/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)
InChI Key:
RXTGRIUBDYHCKY-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnc(s1)Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.915g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.045g/mol
Monoisotopic Mass:
205.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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