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Home > Aldehydes > 149169-49-3
149169-49-3 | Benzaldehyde, 4,5-difluoro-2-nitro-
CAS No: 149169-49-3 Catalog No: AG007YCW MDL No:
Product Description
Catalog Number:
AG007YCW
Chemical Name:
Benzaldehyde, 4,5-difluoro-2-nitro-
CAS Number:
149169-49-3
Molecular Formula:
C7H3F2NO3
Molecular Weight:
187.1004
IUPAC Name:
4,5-difluoro-2-nitrobenzaldehyde
InChI:
InChI=1S/C7H3F2NO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-3H
InChI Key:
ZDBVXHXVYPVPQT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(cc1[N+](=O)[O-])F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.102g/mol
Monoisotopic Mass:
187.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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