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Home > Nitro Compounds > 6698-72-2
6698-72-2 | 1-(4-NITROPHENOXY)-2-PROPANONE
CAS No: 6698-72-2 Catalog No: AG00FBX5 MDL No:
Product Description
Catalog Number:
AG00FBX5
Chemical Name:
1-(4-NITROPHENOXY)-2-PROPANONE
CAS Number:
6698-72-2
IUPAC Name:
1-(4-nitrophenoxy)propan-2-one
InChI:
InChI=1S/C9H9NO4/c1-7(11)6-14-9-4-2-8(3-5-9)10(12)13/h2-5H,6H2,1H3
InChI Key:
BTPOVNGEGQQHIV-UHFFFAOYSA-N
NSC Number:
210318
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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