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Home > Nitro Compounds > 99847-17-3
99847-17-3 | Benzoic acid, 4-(3-nitrophenoxy)-
CAS No: 99847-17-3 Catalog No: AG00IKCE MDL No:
Product Description
Catalog Number:
AG00IKCE
Chemical Name:
Benzoic acid, 4-(3-nitrophenoxy)-
CAS Number:
99847-17-3
IUPAC Name:
4-(3-nitrophenoxy)benzoic acid
InChI:
InChI=1S/C13H9NO5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16)
InChI Key:
AEMXUPRNANAQQS-UHFFFAOYSA-N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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