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1257996-66-9 | 1H-Isoindol-1-one, 4-bromo-2,3-dihydro-2-methyl-7-nitro-
CAS No: 1257996-66-9 Catalog No: AG000OQO MDL No:MFCD18432552
Product Description
Catalog Number:
AG000OQO
Chemical Name:
1H-Isoindol-1-one, 4-bromo-2,3-dihydro-2-methyl-7-nitro-
CAS Number:
1257996-66-9
Molecular Formula:
C9H7BrN2O3
Molecular Weight:
271.0675
MDL Number:
MFCD18432552
IUPAC Name:
4-bromo-2-methyl-7-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C9H7BrN2O3/c1-11-4-5-6(10)2-3-7(12(14)15)8(5)9(11)13/h2-3H,4H2,1H3
InChI Key:
XLPCFZWYPADLOO-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1=O)c(ccc2Br)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.07g/mol
Monoisotopic Mass:
269.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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