Home Nitros Methyl3-aMino-4-Methyl-5-nitrobenzoate

Methyl3-aMino-4-Methyl-5-nitrobenzoate

CAS No.:
72922-60-2
Catalog Number:
AG00FHOJ
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
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Product Description
Catalog Number:
AG00FHOJ
Chemical Name:
Methyl3-aMino-4-Methyl-5-nitrobenzoate
CAS Number:
72922-60-2
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD03081801
IUPAC Name:
methyl 3-amino-4-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H10N2O4/c1-5-7(10)3-6(9(12)15-2)4-8(5)11(13)14/h3-4H,10H2,1-2H3
InChI Key:
NQJNEBQTJXTNJF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
263  
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:
2  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties