Home Aminos Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester (9CI)

Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester (9CI)

CAS No.:
668276-44-6
Catalog Number:
AG00FG94
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FG94
Chemical Name:
Benzoic acid, 4-amino-3-methyl-5-nitro-, methyl ester (9CI)
CAS Number:
668276-44-6
MDL Number:
MFCD16036712
IUPAC Name:
methyl 4-amino-3-methyl-5-nitrobenzoate
InChI:
InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,10H2,1-2H3
InChI Key:
DCBDOCUUDHFUSW-UHFFFAOYSA-N
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:
1.8  
Properties