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57516-16-2 | 2-Bromo-4-phenylthiazole
CAS No: 57516-16-2 Catalog No: AG00ED3F MDL No:MFCD09746507
Product Description
Catalog Number:
AG00ED3F
Chemical Name:
2-Bromo-4-phenylthiazole
CAS Number:
57516-16-2
Molecular Formula:
C9H6BrNS
Molecular Weight:
240.1196
MDL Number:
MFCD09746507
IUPAC Name:
2-bromo-4-phenyl-1,3-thiazole
InChI:
InChI=1S/C9H6BrNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChI Key:
WUZLTINVLOBXQS-UHFFFAOYSA-N
SMILES:
Brc1scc(n1)c1ccccc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.118g/mol
Monoisotopic Mass:
238.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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