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Home > Aldehydes > 177994-49-9
177994-49-9 | Benzaldehyde, 3-chloro-5-fluoro-4-methoxy-
CAS No: 177994-49-9 Catalog No: AG0025OX MDL No:MFCD04115863
Product Description
Catalog Number:
AG0025OX
Chemical Name:
Benzaldehyde, 3-chloro-5-fluoro-4-methoxy-
CAS Number:
177994-49-9
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD04115863
IUPAC Name:
3-chloro-5-fluoro-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6ClFO2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChI Key:
HILNMKBXNYUXIJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)Cl)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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