Home Halogens 7-amino-4-chloroisoindolin-1-one

7-amino-4-chloroisoindolin-1-one

CAS No.:
2098309-99-8
Catalog Number:
AG01DDQU
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
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Product Description
Catalog Number:
AG01DDQU
Chemical Name:
7-amino-4-chloroisoindolin-1-one
CAS Number:
2098309-99-8
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
MDL Number:
MFCD31540767
IUPAC Name:
7-amino-4-chloro-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H7ClN2O/c9-5-1-2-6(10)7-4(5)3-11-8(7)12/h1-2H,3,10H2,(H,11,12)
InChI Key:
OHIMSIPWYQQONK-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1c(N)ccc2Cl
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:
1.3  
Properties