Home Aldehydes 5-Methyl-2-nitrobenzaldehyde

5-Methyl-2-nitrobenzaldehyde

CAS No.:
5858-28-6
Catalog Number:
AG00EBCT
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$163
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Product Description
Catalog Number:
AG00EBCT
Chemical Name:
5-Methyl-2-nitrobenzaldehyde
CAS Number:
5858-28-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD08703362
IUPAC Name:
5-methyl-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-5H,1H3
InChI Key:
SKQIOXLCRQVPAT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1[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:
1.6  
Properties