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18113-07-0 | Phenol, 4-chloro-3-methoxy-
CAS No: 18113-07-0 Catalog No: AG0022PB MDL No:MFCD16998742
Product Description
Catalog Number:
AG0022PB
Chemical Name:
Phenol, 4-chloro-3-methoxy-
CAS Number:
18113-07-0
Molecular Formula:
C7H7ClO2
Molecular Weight:
158.5823
MDL Number:
MFCD16998742
IUPAC Name:
4-chloro-3-methoxyphenol
InChI:
InChI=1S/C7H7ClO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
InChI Key:
NKFRBXPBRPYULV-UHFFFAOYSA-N
SMILES:
COc1cc(O)ccc1Cl
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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