Home Other Building Blocks 4-AMINO-3-METHOXY-5-NITROBENZOIC ACID

4-AMINO-3-METHOXY-5-NITROBENZOIC ACID

CAS No.:
1260657-84-8
Catalog Number:
AG01DV52
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
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Product Description
Catalog Number:
AG01DV52
Chemical Name:
4-AMINO-3-METHOXY-5-NITROBENZOIC ACID
CAS Number:
1260657-84-8
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD15527543
IUPAC Name:
4-amino-3-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H8N2O5/c1-15-6-3-4(8(11)12)2-5(7(6)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChI Key:
IJWXHFVCOCMQAP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1N)[N+](=O)[O-])C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties