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Home > Nitro Compounds > 57544-02-2
57544-02-2 | 2-(4-METHOXYPHENYL)-3-NITRO-2H-CHROMENE
CAS No: 57544-02-2 Catalog No: AG00F18U MDL No:MFCD00176027
Product Description
Catalog Number:
AG00F18U
Chemical Name:
2-(4-METHOXYPHENYL)-3-NITRO-2H-CHROMENE
CAS Number:
57544-02-2
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
MDL Number:
MFCD00176027
IUPAC Name:
2-(4-methoxyphenyl)-3-nitro-2H-chromene
InChI:
InChI=1S/C16H13NO4/c1-20-13-8-6-11(7-9-13)16-14(17(18)19)10-12-4-2-3-5-15(12)21-16/h2-10,16H,1H3
InChI Key:
VWHLPNCPVHZLQX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1Oc2ccccc2C=C1[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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