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127168-81-4 | 1H-Isoindole, 4-bromo-2,3-dihydro-
CAS No: 127168-81-4 Catalog No: AG000WQC MDL No:MFCD09701972
Product Description
Catalog Number:
AG000WQC
Chemical Name:
1H-Isoindole, 4-bromo-2,3-dihydro-
CAS Number:
127168-81-4
Molecular Formula:
C8H8BrN
Molecular Weight:
198.0598
MDL Number:
MFCD09701972
IUPAC Name:
4-bromo-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C8H8BrN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChI Key:
AMXFGLZWKBYNGE-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1CNC2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.063g/mol
Monoisotopic Mass:
196.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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