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2172218-68-5 | 5-(aminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride
CAS No: 2172218-68-5 Catalog No: AG01FKB2 MDL No:
Product Description
Catalog Number:
AG01FKB2
Chemical Name:
5-(aminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride
CAS Number:
2172218-68-5
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
IUPAC Name:
5-(aminomethyl)-4H-1,4-benzoxazin-3-one;hydrochloride
InChI:
InChI=1S/C9H10N2O2.ClH/c10-4-6-2-1-3-7-9(6)11-8(12)5-13-7;/h1-3H,4-5,10H2,(H,11,12);1H
InChI Key:
LAFDUNCEBZGQGJ-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1NC(=O)CO2.Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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