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18515-67-8 | 3-Methyl-4-nitrobenzaldehyde
CAS No: 18515-67-8 Catalog No: AG007RLN MDL No:MFCD08445621
Product Description
Catalog Number:
AG007RLN
Chemical Name:
3-Methyl-4-nitrobenzaldehyde
CAS Number:
18515-67-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD08445621
IUPAC Name:
3-methyl-4-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5H,1H3
InChI Key:
WHJDQIWWIJARMK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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