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Home > Aldehydes > 107096-52-6
107096-52-6 | 2-METHYL-6-NITROBENZALDEHYDE
CAS No: 107096-52-6 Catalog No: AG009TC7 MDL No:MFCD10696870
Product Description
Catalog Number:
AG009TC7
Chemical Name:
2-METHYL-6-NITROBENZALDEHYDE
CAS Number:
107096-52-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD10696870
IUPAC Name:
2-methyl-6-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-3-2-4-8(9(11)12)7(6)5-10/h2-5H,1H3
InChI Key:
LBHWNZFYCKTRFN-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cccc1[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
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