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315188-38-6 | 4-(difluoromethoxy)-3-nitrobenzaldehyde
CAS No: 315188-38-6 Catalog No: AG01A5XM MDL No:MFCD11164250
Product Description
Catalog Number:
AG01A5XM
Chemical Name:
4-(difluoromethoxy)-3-nitrobenzaldehyde
CAS Number:
315188-38-6
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD11164250
IUPAC Name:
4-(difluoromethoxy)-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H5F2NO4/c9-8(10)15-7-2-1-5(4-12)3-6(7)11(13)14/h1-4,8H
InChI Key:
UCNDXESPXKOMEU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])OC(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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