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41731-23-1 | 2-Bromo-5-methylthiazole
CAS No: 41731-23-1 Catalog No: AG00335X MDL No:MFCD08460610
Product Description
Catalog Number:
AG00335X
Chemical Name:
2-Bromo-5-methylthiazole
CAS Number:
41731-23-1
Molecular Formula:
C4H4BrNS
Molecular Weight:
178.0503
MDL Number:
MFCD08460610
IUPAC Name:
2-bromo-5-methyl-1,3-thiazole
InChI:
InChI=1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3
InChI Key:
FJPZHYAYNAUKKA-UHFFFAOYSA-N
SMILES:
Cc1cnc(s1)Br
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.925g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.047g/mol
Monoisotopic Mass:
176.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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