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20949-73-9 | 4-Thiazolol, 4-(dibromomethyl)-4,5-dihydro-2-phenyl-, hydrobromide (1:1)
CAS No: 20949-73-9 Catalog No: AG002K9J MDL No:
Product Description
Catalog Number:
AG002K9J
Chemical Name:
4-Thiazolol, 4-(dibromomethyl)-4,5-dihydro-2-phenyl-, hydrobromide (1:1)
CAS Number:
20949-73-9
Molecular Formula:
C10H10Br3NOS
Molecular Weight:
431.9695
IUPAC Name:
4-(dibromomethyl)-2-phenyl-5H-1,3-thiazol-4-ol;hydrobromide
InChI:
InChI=1S/C10H9Br2NOS.BrH/c11-9(12)10(14)6-15-8(13-10)7-4-2-1-3-5-7;/h1-5,9,14H,6H2;1H
InChI Key:
QYCOMBMRSLMLRI-UHFFFAOYSA-N
SMILES:
BrC(C1(O)CSC(=N1)c1ccccc1)Br.Br
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.801g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.968g/mol
Monoisotopic Mass:
428.803g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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