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1228574-51-3 | 1,2-Benzisoxazol-3-amine, 4-ethoxy-N-methyl-
CAS No: 1228574-51-3 Catalog No: AG000JM4 MDL No:
Product Description
Catalog Number:
AG000JM4
Chemical Name:
1,2-Benzisoxazol-3-amine, 4-ethoxy-N-methyl-
CAS Number:
1228574-51-3
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
4-ethoxy-N-methyl-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C10H12N2O2/c1-3-13-7-5-4-6-8-9(7)10(11-2)12-14-8/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
LNMAIVLSVSYCHY-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1c(NC)no2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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