Home Nitros 4-(Difluoromethoxy)-3-nitrobenzoic acid

4-(Difluoromethoxy)-3-nitrobenzoic acid

CAS No.:
906747-90-8
Catalog Number:
AG00IG9F
Molecular Formula:
C8H5F2NO5
Molecular Weight:
233.1258
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Product Description
Catalog Number:
AG00IG9F
Chemical Name:
4-(Difluoromethoxy)-3-nitrobenzoic acid
CAS Number:
906747-90-8
Molecular Formula:
C8H5F2NO5
Molecular Weight:
233.1258
MDL Number:
MFCD11166347
IUPAC Name:
4-(difluoromethoxy)-3-nitrobenzoic acid
InChI:
InChI=1S/C8H5F2NO5/c9-8(10)16-6-2-1-4(7(12)13)3-5(6)11(14)15/h1-3,8H,(H,12,13)
InChI Key:
FVBVFSSLGYGGJX-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1[N+](=O)[O-])C(=O)O)F
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.127g/mol
Monoisotopic Mass:
233.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties