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173417-56-6 | Thiazole, 4-(bromomethyl)-4,5-dihydro-2-phenyl-
CAS No: 173417-56-6 Catalog No: AG001YVU MDL No:
Product Description
Catalog Number:
AG001YVU
Chemical Name:
Thiazole, 4-(bromomethyl)-4,5-dihydro-2-phenyl-
CAS Number:
173417-56-6
Molecular Formula:
C10H10BrNS
Molecular Weight:
256.1621
IUPAC Name:
4-(bromomethyl)-2-phenyl-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C10H10BrNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
QDNFMDUAYMAKJQ-UHFFFAOYSA-N
SMILES:
BrCC1CSC(=N1)c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.161g/mol
Monoisotopic Mass:
254.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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