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177034-24-1

177034-24-1 | Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-

CAS No: 177034-24-1 Catalog No: AG00252X MDL No:MFCD05863886

Product Description

Catalog Number:
AG00252X
Chemical Name:
Benzaldehyde, 4-chloro-2-fluoro-5-methoxy-
CAS Number:
177034-24-1
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD05863886
IUPAC Name:
4-chloro-2-fluoro-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H6ClFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
InChI Key:
XWPDQEBSWPVPKG-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1Cl)F

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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