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1378969-97-1 | 1H-Isoindol-1-one, 7-chloro-2,3-dihydro-2-methyl-
CAS No: 1378969-97-1 Catalog No: AG00141E MDL No:
Product Description
Catalog Number:
AG00141E
Chemical Name:
1H-Isoindol-1-one, 7-chloro-2,3-dihydro-2-methyl-
CAS Number:
1378969-97-1
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
IUPAC Name:
7-chloro-2-methyl-3H-isoindol-1-one
InChI:
InChI=1S/C9H8ClNO/c1-11-5-6-3-2-4-7(10)8(6)9(11)12/h2-4H,5H2,1H3
InChI Key:
DCMIUEBMDBUYSV-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1=O)c(Cl)ccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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