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Home > Aldehydes > 177211-30-2
177211-30-2 | 4-chloro-2-fluoro-5-methylbenzaldehyde
CAS No: 177211-30-2 Catalog No: AG01DF1E MDL No:MFCD28751755
Product Description
Catalog Number:
AG01DF1E
Chemical Name:
4-chloro-2-fluoro-5-methylbenzaldehyde
CAS Number:
177211-30-2
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD28751755
IUPAC Name:
4-chloro-2-fluoro-5-methylbenzaldehyde
InChI:
InChI=1S/C8H6ClFO/c1-5-2-6(4-11)8(10)3-7(5)9/h2-4H,1H3
InChI Key:
NRYMNJWMQFXIAC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(cc1F)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.583g/mol
Monoisotopic Mass:
172.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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