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Home > Bromides > 1026598-63-9
1026598-63-9 | Thiazole, 2-bromo-4-(1-methylethyl)-
CAS No: 1026598-63-9 Catalog No: AG00081X MDL No:MFCD12033481
Product Description
Catalog Number:
AG00081X
Chemical Name:
Thiazole, 2-bromo-4-(1-methylethyl)-
CAS Number:
1026598-63-9
Molecular Formula:
C6H8BrNS
Molecular Weight:
206.1034
MDL Number:
MFCD12033481
IUPAC Name:
2-bromo-4-propan-2-yl-1,3-thiazole
InChI:
InChI=1S/C6H8BrNS/c1-4(2)5-3-9-6(7)8-5/h3-4H,1-2H3
InChI Key:
DIIPUVSYKDLNDN-UHFFFAOYSA-N
SMILES:
CC(c1csc(n1)Br)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.956g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.101g/mol
Monoisotopic Mass:
204.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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