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18113-04-7 | Phenol, 2-chloro-5-methoxy-
CAS No: 18113-04-7 Catalog No: AG0022PC MDL No:MFCD00086345
Product Description
Catalog Number:
AG0022PC
Chemical Name:
Phenol, 2-chloro-5-methoxy-
CAS Number:
18113-04-7
Molecular Formula:
C7H7ClO2
Molecular Weight:
158.5823
MDL Number:
MFCD00086345
IUPAC Name:
2-chloro-5-methoxyphenol
InChI:
InChI=1S/C7H7ClO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChI Key:
KULSVCANYQIOFD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.581g/mol
Monoisotopic Mass:
158.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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