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379255-03-5 | 4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzohydrazide
CAS No: 379255-03-5 Catalog No: AG019HJA MDL No:MFCD03147324
Product Description
Catalog Number:
AG019HJA
Chemical Name:
4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzohydrazide
CAS Number:
379255-03-5
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
MDL Number:
MFCD03147324
IUPAC Name:
4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzohydrazide
InChI:
InChI=1S/C15H13N3O2S/c16-18-14(19)11-7-5-10(6-8-11)9-21-15-17-12-3-1-2-4-13(12)20-15/h1-8H,9,16H2,(H,18,19)
InChI Key:
GIIMLPHBHLFTQZ-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)CSc1nc2c(o1)cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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