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Home > Nitro Compounds > 142314-70-3
142314-70-3 | 2-Formyl-6-nitrobenzoic Acid Methyl Ester
CAS No: 142314-70-3 Catalog No: AG003HCC MDL No:
Product Description
Catalog Number:
AG003HCC
Chemical Name:
2-Formyl-6-nitrobenzoic Acid Methyl Ester
CAS Number:
142314-70-3
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
IUPAC Name:
methyl 2-formyl-6-nitrobenzoate
InChI:
InChI=1S/C9H7NO5/c1-15-9(12)8-6(5-11)3-2-4-7(8)10(13)14/h2-5H,1H3
InChI Key:
UFSGWOAUSVQOQB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C=O)cccc1[N+](=O)[O-]
NSC Number:
404001
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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