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84228-46-6 | Ethyl 4-amino-2-nitrobenzoate
CAS No: 84228-46-6 Catalog No: AG004RJJ MDL No:MFCD06656140
Product Description
Catalog Number:
AG004RJJ
Chemical Name:
Ethyl 4-amino-2-nitrobenzoate
CAS Number:
84228-46-6
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD06656140
IUPAC Name:
ethyl 4-amino-2-nitrobenzoate
InChI:
InChI=1S/C9H10N2O4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2,10H2,1H3
InChI Key:
YOMQIQZTFBDFSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1[N+](=O)[O-])N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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