Home Other Building Blocks 4-Chloro-3-ethyl-5-methyl-phenol

4-Chloro-3-ethyl-5-methyl-phenol

CAS No.:
1125-66-2
Catalog Number:
AG00826W
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
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Product Description
Catalog Number:
AG00826W
Chemical Name:
4-Chloro-3-ethyl-5-methyl-phenol
CAS Number:
1125-66-2
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
MDL Number:
MFCD00085401
IUPAC Name:
4-chloro-3-ethyl-5-methylphenol
InChI:
InChI=1S/C9H11ClO/c1-3-7-5-8(11)4-6(2)9(7)10/h4-5,11H,3H2,1-2H3
InChI Key:
KOIPGHKKJDOUNZ-UHFFFAOYSA-N
SMILES:
CCc1cc(O)cc(c1Cl)C
NSC Number:
60263
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties