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20357-22-6 | Benzaldehyde, 4-methyl-2-nitro-
CAS No: 20357-22-6 Catalog No: AG0028ZP MDL No:MFCD08669895
Product Description
Catalog Number:
AG0028ZP
Chemical Name:
Benzaldehyde, 4-methyl-2-nitro-
CAS Number:
20357-22-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD08669895
IUPAC Name:
4-methyl-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5H,1H3
InChI Key:
FDYADQPZUDULNK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C
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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