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180597-85-7 | Thiazole, 2-bromo-4-(bromomethyl)-
CAS No: 180597-85-7 Catalog No: AG00224Y MDL No:MFCD08273952
Product Description
Catalog Number:
AG00224Y
Chemical Name:
Thiazole, 2-bromo-4-(bromomethyl)-
CAS Number:
180597-85-7
Molecular Formula:
C4H3Br2NS
Molecular Weight:
256.9463
MDL Number:
MFCD08273952
IUPAC Name:
2-bromo-4-(bromomethyl)-1,3-thiazole
InChI:
InChI=1S/C4H3Br2NS/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChI Key:
PUUHOIJJZAGFNK-UHFFFAOYSA-N
SMILES:
BrCc1csc(n1)Br
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.833g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.943g/mol
Monoisotopic Mass:
254.835g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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