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299202-82-7 | 5-(2-METHOXY-4-NITRO-PHENYL)-FURAN-2-CARBALDEHYDE
CAS No: 299202-82-7 Catalog No: AG00BD1R MDL No:MFCD00613051
Product Description
Catalog Number:
AG00BD1R
Chemical Name:
5-(2-METHOXY-4-NITRO-PHENYL)-FURAN-2-CARBALDEHYDE
CAS Number:
299202-82-7
Molecular Formula:
C12H9NO5
Molecular Weight:
247.2036
MDL Number:
MFCD00613051
IUPAC Name:
5-(2-methoxy-4-nitrophenyl)furan-2-carbaldehyde
InChI:
InChI=1S/C12H9NO5/c1-17-12-6-8(13(15)16)2-4-10(12)11-5-3-9(7-14)18-11/h2-7H,1H3
InChI Key:
BEHUPCUZFVRRTD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1ccc(o1)C=O)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.206g/mol
Monoisotopic Mass:
247.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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