Name: Name:Benzene, 2-methoxy-5-methyl-1,3-dinitro-
Brand: Angene
SKU: AG002YF1
Rating: 90 (10 reviews)

Benzene, 2-methoxy-5-methyl-1,3-dinitro-

CAS No.:

29455-11-6

Catalog Number:

AG002YF1

Molecular Formula:

C8H8N2O5

Molecular Weight:

212.1595

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Purity

Availability

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>98.0%(GC)

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Catalog Number:

AG002YF1

Chemical Name:

Benzene, 2-methoxy-5-methyl-1,3-dinitro-

CAS Number:

29455-11-6

Molecular Formula:

C8H8N2O5

Molecular Weight:

212.1595

MDL Number:

MFCD00192097

IUPAC Name:

2-methoxy-5-methyl-1,3-dinitrobenzene

InChI:

InChI=1S/C8H8N2O5/c1-5-3-6(9(11)12)8(15-2)7(4-5)10(13)14/h3-4H,1-2H3

InChI Key:

HVNUPXQONRHUOX-UHFFFAOYSA-N

SMILES:

COc1c(cc(cc1[N+](=O)[O-])C)[N+](=O)[O-]

NSC Number:

89790

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.161g/mol

Monoisotopic Mass:

212.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9