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Home Aldehydes 4-Methyl-3-nitrobenzaldehyde

4-Methyl-3-nitrobenzaldehyde

CAS No.:
31680-07-6
Catalog Number:
AG00BXDM
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$37
- +
25g
96%
In Stock USA
United States
$119
- +
100g
96%
In Stock USA
United States
$369
- +
500g
96%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG00BXDM
Chemical Name:
4-Methyl-3-nitrobenzaldehyde
CAS Number:
31680-07-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00017011
IUPAC Name:
4-methyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3
InChI Key:
KHWGAWBXQOKXIJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
250-760-4
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:
1.9  
Literature
Title Journal
4-Methyl-3-nitro-benzaldehyde. Acta crystallographica. Section E, Structure reports online 20100901
Properties