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1001413-46-2 | 5-Thiazolemethanamine, 2-bromo-, hydrochloride (1:1)
CAS No: 1001413-46-2 Catalog No: AG00013F MDL No:MFCD08143030
Product Description
Catalog Number:
AG00013F
Chemical Name:
5-Thiazolemethanamine, 2-bromo-, hydrochloride (1:1)
CAS Number:
1001413-46-2
Molecular Formula:
C4H6BrClN2S
Molecular Weight:
229.5258
MDL Number:
MFCD08143030
IUPAC Name:
(2-bromo-1,3-thiazol-5-yl)methanamine;hydrochloride
InChI:
InChI=1S/C4H5BrN2S.ClH/c5-4-7-2-3(1-6)8-4;/h2H,1,6H2;1H
InChI Key:
NKRZXJJIHNKMKK-UHFFFAOYSA-N
SMILES:
NCc1cnc(s1)Br.Cl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.912g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.52g/mol
Monoisotopic Mass:
227.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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