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671754-28-2 | 4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZONITRILE
CAS No: 671754-28-2 Catalog No: AG006KLP MDL No:MFCD00097980
Product Description
Catalog Number:
AG006KLP
Chemical Name:
4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZONITRILE
CAS Number:
671754-28-2
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD00097980
IUPAC Name:
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
InChI:
InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)7-15-12-4-2-10(6-13)3-5-12/h2-5,8H,7H2,1H3
InChI Key:
TZZWRROOAZYIBF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCc1csc(n1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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