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1446332-73-5 | 2-Benzoxazoleacetic acid, 4-chloro-, ethyl ester
CAS No: 1446332-73-5 Catalog No: AG001JW2 MDL No:
Product Description
Catalog Number:
AG001JW2
Chemical Name:
2-Benzoxazoleacetic acid, 4-chloro-, ethyl ester
CAS Number:
1446332-73-5
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
IUPAC Name:
ethyl 2-(4-chloro-1,3-benzoxazol-2-yl)acetate
InChI:
InChI=1S/C11H10ClNO3/c1-2-15-10(14)6-9-13-11-7(12)4-3-5-8(11)16-9/h3-5H,2,6H2,1H3
InChI Key:
WEGKCVYCZQSJLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1oc2c(n1)c(Cl)ccc2
Properties
Complexity:
262
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:
0
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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