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23145-18-8 | 2-Benzofurancarboxaldehyde, 5-nitro-
CAS No: 23145-18-8 Catalog No: AG002MCT MDL No:MFCD06255199
Product Description
Catalog Number:
AG002MCT
Chemical Name:
2-Benzofurancarboxaldehyde, 5-nitro-
CAS Number:
23145-18-8
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
MDL Number:
MFCD06255199
IUPAC Name:
5-nitro-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C9H5NO4/c11-5-8-4-6-3-7(10(12)13)1-2-9(6)14-8/h1-5H
InChI Key:
NJHFCKIZFVVFTC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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