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885273-50-7 | (3-(3-Chlorophenyl);isoxazol-5-yl);methanamine
CAS No: 885273-50-7 Catalog No: AG00472G MDL No:MFCD06738503
Product Description
Catalog Number:
AG00472G
Chemical Name:
(3-(3-Chlorophenyl);isoxazol-5-yl);methanamine
CAS Number:
885273-50-7
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD06738503
IUPAC Name:
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanamine
InChI:
InChI=1S/C10H9ClN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChI Key:
HEGWLLFZCBEGJE-UHFFFAOYSA-N
SMILES:
NCc1onc(c1)c1cccc(c1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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