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37481-69-9 | 4(1H)-Isoquinolinone, 2,3-dihydro-2-(phenylmethyl)-, hydrochloride
CAS No: 37481-69-9 Catalog No: AG00IMMU MDL No:MFCD18459156
Product Description
Catalog Number:
AG00IMMU
Chemical Name:
4(1H)-Isoquinolinone, 2,3-dihydro-2-(phenylmethyl)-, hydrochloride
CAS Number:
37481-69-9
Molecular Formula:
C16H16ClNO
Molecular Weight:
273.7573
MDL Number:
MFCD18459156
IUPAC Name:
2-benzyl-1,3-dihydroisoquinolin-4-one;hydrochloride
InChI:
InChI=1S/C16H15NO.ClH/c18-16-12-17(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16;/h1-9H,10-12H2;1H
InChI Key:
JGBXBXHGWDLCJY-UHFFFAOYSA-N
SMILES:
O=C1CN(Cc2ccccc2)Cc2c1cccc2.Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.76g/mol
Monoisotopic Mass:
273.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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