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1440519-63-0 | 1H-Isoindol-1-one, 5-chloro-2,3-dihydro-3,3-dimethyl-
CAS No: 1440519-63-0 Catalog No: AG001IU7 MDL No:MFCD26407089
Product Description
Catalog Number:
AG001IU7
Chemical Name:
1H-Isoindol-1-one, 5-chloro-2,3-dihydro-3,3-dimethyl-
CAS Number:
1440519-63-0
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD26407089
IUPAC Name:
5-chloro-3,3-dimethyl-2H-isoindol-1-one
InChI:
InChI=1S/C10H10ClNO/c1-10(2)8-5-6(11)3-4-7(8)9(13)12-10/h3-5H,1-2H3,(H,12,13)
InChI Key:
DQVCNEFERHUONP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(C)(C)NC2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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