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90288-54-3 | Phenol, 2-[(4-chloro-3-methyl-5-isoxazolyl)methoxy]-
CAS No: 90288-54-3 Catalog No: AG006GNX MDL No:
Product Description
Catalog Number:
AG006GNX
Chemical Name:
Phenol, 2-[(4-chloro-3-methyl-5-isoxazolyl)methoxy]-
CAS Number:
90288-54-3
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
IUPAC Name:
2-[(4-chloro-3-methyl-1,2-oxazol-5-yl)methoxy]phenol
InChI:
InChI=1S/C11H10ClNO3/c1-7-11(12)10(16-13-7)6-15-9-5-3-2-4-8(9)14/h2-5,14H,6H2,1H3
InChI Key:
INURZWWSOYDHKJ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1OCc1onc(c1Cl)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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