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181424-15-7 | Thiazole, 5-(bromomethyl)-4-methyl-2-phenyl-
CAS No: 181424-15-7 Catalog No: AG0022V1 MDL No:MFCD04974048
Product Description
Catalog Number:
AG0022V1
Chemical Name:
Thiazole, 5-(bromomethyl)-4-methyl-2-phenyl-
CAS Number:
181424-15-7
Molecular Formula:
C11H10BrNS
Molecular Weight:
268.1728
MDL Number:
MFCD04974048
IUPAC Name:
5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
InChI:
InChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
JIYKQPNREFZLCN-UHFFFAOYSA-N
SMILES:
BrCc1sc(nc1C)c1ccccc1
Properties
Complexity:
182
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:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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