Home Halogens 3-amino-6-chloro-1H-isoindol-1-one

3-amino-6-chloro-1H-isoindol-1-one

CAS No.:
65122-09-0
Catalog Number:
AG01BAOF
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
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Product Description
Catalog Number:
AG01BAOF
Chemical Name:
3-amino-6-chloro-1H-isoindol-1-one
CAS Number:
65122-09-0
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD20696883
IUPAC Name:
3-amino-6-chloroisoindol-1-one
InChI:
InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)
InChI Key:
KLICXIFDRLZSGO-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)N=C2N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties