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1159826-68-2 | 5-Isoxazolemethanamine, 3-(3-chlorophenyl)-, hydrochloride (1:1)
CAS No: 1159826-68-2 Catalog No: AG000HCI MDL No:MFCD11501077
Product Description
Catalog Number:
AG000HCI
Chemical Name:
5-Isoxazolemethanamine, 3-(3-chlorophenyl)-, hydrochloride (1:1)
CAS Number:
1159826-68-2
Molecular Formula:
C10H10Cl2N2O
Molecular Weight:
245.1052
MDL Number:
MFCD11501077
IUPAC Name:
[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C10H9ClN2O.ClH/c11-8-3-1-2-7(4-8)10-5-9(6-12)14-13-10;/h1-5H,6,12H2;1H
InChI Key:
FBIANNIESMPANH-UHFFFAOYSA-N
SMILES:
NCc1onc(c1)c1cccc(c1)Cl.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.103g/mol
Monoisotopic Mass:
244.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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