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30335-72-9 | Benzofuran, 5-methoxy-2-nitro-
CAS No: 30335-72-9 Catalog No: AG002ZSE MDL No:
Product Description
Catalog Number:
AG002ZSE
Chemical Name:
Benzofuran, 5-methoxy-2-nitro-
CAS Number:
30335-72-9
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
5-methoxy-2-nitro-1-benzofuran
InChI:
InChI=1S/C9H7NO4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3
InChI Key:
MQJDCMRJYZIXBB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(o2)[N+](=O)[O-]
NSC Number:
170707
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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