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1367864-25-2 | 1H-Isoindol-1-one, 5-aMino-6-chloro-2,3-dihydro-
CAS No: 1367864-25-2 Catalog No: AG0012CG MDL No:
Product Description
Catalog Number:
AG0012CG
Chemical Name:
1H-Isoindol-1-one, 5-aMino-6-chloro-2,3-dihydro-
CAS Number:
1367864-25-2
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
IUPAC Name:
5-amino-6-chloro-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H7ClN2O/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3,10H2,(H,11,12)
InChI Key:
LZXOPWJLIZDVFK-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cc(Cl)c(c2)N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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