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Home > Nitro Compounds > 90564-27-5
90564-27-5 | Benzoic acid, 3-ethoxy-2-nitro- (7CI)
CAS No: 90564-27-5 Catalog No: AG00H0PT MDL No:
Product Description
Catalog Number:
AG00H0PT
Chemical Name:
Benzoic acid, 3-ethoxy-2-nitro- (7CI)
CAS Number:
90564-27-5
IUPAC Name:
3-ethoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-7-5-3-4-6(9(11)12)8(7)10(13)14/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
ICJYGXUOVLGEIL-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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