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886367-59-5 | 2-BROMO-4-(3,4-DIMETHYL-PHENYL)-THIAZOLE
CAS No: 886367-59-5 Catalog No: AG00GS2F MDL No:
Product Description
Catalog Number:
AG00GS2F
Chemical Name:
2-BROMO-4-(3,4-DIMETHYL-PHENYL)-THIAZOLE
CAS Number:
886367-59-5
Molecular Formula:
C11H10BrNS
Molecular Weight:
268.1728
IUPAC Name:
2-bromo-4-(3,4-dimethylphenyl)-1,3-thiazole
InChI:
InChI=1S/C11H10BrNS/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10/h3-6H,1-2H3
InChI Key:
JPUGVJDOGSASJI-UHFFFAOYSA-N
SMILES:
Brc1scc(n1)c1ccc(c(c1)C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.172g/mol
Monoisotopic Mass:
266.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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