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119121-65-2 | Phenol, 2-[[[5-bromo-4-(4-methylphenyl)-2-thiazolyl]imino]methyl]-
CAS No: 119121-65-2 Catalog No: AG000I8X MDL No:
Product Description
Catalog Number:
AG000I8X
Chemical Name:
Phenol, 2-[[[5-bromo-4-(4-methylphenyl)-2-thiazolyl]imino]methyl]-
CAS Number:
119121-65-2
Molecular Formula:
C17H13BrN2OS
Molecular Weight:
373.2669
IUPAC Name:
2-[[5-bromo-4-(4-methylphenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
InChI:
InChI=1S/C17H13BrN2OS/c1-11-6-8-12(9-7-11)15-16(18)22-17(20-15)19-10-13-4-2-3-5-14(13)21/h2-10,21H,1H3
InChI Key:
OVFOWZQLLVAQOP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(sc1Br)N=Cc1ccccc1O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.268g/mol
Monoisotopic Mass:
371.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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