Home Aminos 5-(dimethylamino)-2-nitrobenzoic acid

5-(dimethylamino)-2-nitrobenzoic acid

CAS No.:
62876-66-8
Catalog Number:
AG01DJMV
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
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Product Description
Catalog Number:
AG01DJMV
Chemical Name:
5-(dimethylamino)-2-nitrobenzoic acid
CAS Number:
62876-66-8
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD11132199
IUPAC Name:
5-(dimethylamino)-2-nitrobenzoic acid
InChI:
InChI=1S/C9H10N2O4/c1-10(2)6-3-4-8(11(14)15)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
RIBZKYVKDZGFBP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])N(C)C
EC Number:
814-136-0
Properties
Complexity:
261  
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:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
5-Dimethyl-amino-N,N-dimethyl-2-nitro-benzamide. Acta crystallographica. Section E, Structure reports online 20090601
Properties