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1306604-50-1 | 5-amino-6-bromo-2,3-dihydro-1H-isoindole-2-carbaldehyde
CAS No: 1306604-50-1 Catalog No: AG01AI8M MDL No:MFCD18838937
Product Description
Catalog Number:
AG01AI8M
Chemical Name:
5-amino-6-bromo-2,3-dihydro-1H-isoindole-2-carbaldehyde
CAS Number:
1306604-50-1
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
MDL Number:
MFCD18838937
IUPAC Name:
5-amino-6-bromo-1,3-dihydroisoindole-2-carbaldehyde
InChI:
InChI=1S/C9H9BrN2O/c10-8-1-6-3-12(5-13)4-7(6)2-9(8)11/h1-2,5H,3-4,11H2
InChI Key:
WTQZAXFFWGTIMU-UHFFFAOYSA-N
SMILES:
O=CN1Cc2c(C1)cc(c(c2)Br)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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