Benzaldehyde, 3-methyl-4-nitro-


Chemical Name: Benzaldehyde, 3-methyl-4-nitro-
CAS Number: 18515-67-8
Product Number: AG007RLN(AGN-PC-0NHGBI)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461

Identification/Properties


Computed Properties
Molecular Weight:
165.148g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.043g/mol
Monoisotopic Mass:
165.043g/mol
Topological Polar Surface Area:
62.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
187
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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