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98027-25-9 | 4-(BROMOMETHYL)THIAZOLE.HBr
CAS No: 98027-25-9 Catalog No: AG00367O MDL No:MFCD28101760
Product Description
Catalog Number:
AG00367O
Chemical Name:
4-(BROMOMETHYL)THIAZOLE.HBr
CAS Number:
98027-25-9
Molecular Formula:
C4H5Br2NS
Molecular Weight:
258.9622
MDL Number:
MFCD28101760
IUPAC Name:
4-(bromomethyl)-1,3-thiazole;hydrobromide
InChI:
InChI=1S/C4H4BrNS.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChI Key:
SGRVAKKAQAGLOX-UHFFFAOYSA-N
SMILES:
BrCc1cscn1.Br
Properties
Complexity:
59.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.849g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.959g/mol
Monoisotopic Mass:
256.851g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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