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Home > Nitro Compounds > 17403-47-3
17403-47-3 | Benzofuran, 2,3-dihydro-5-nitro-
CAS No: 17403-47-3 Catalog No: AG001ZEL MDL No:MFCD22376562
Product Description
Catalog Number:
AG001ZEL
Chemical Name:
Benzofuran, 2,3-dihydro-5-nitro-
CAS Number:
17403-47-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD22376562
IUPAC Name:
5-nitro-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C8H7NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChI Key:
TYPKKUFDAHEIOP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCO2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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