Home Halogens 3-tert-butyl-2-chlorophenol

3-tert-butyl-2-chlorophenol

CAS No.:
60935-49-1
Catalog Number:
AG01B551
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
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Product Description
Catalog Number:
AG01B551
Chemical Name:
3-tert-butyl-2-chlorophenol
CAS Number:
60935-49-1
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
MDL Number:
MFCD16996887
IUPAC Name:
3-tert-butyl-2-chlorophenol
InChI:
InChI=1S/C10H13ClO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h4-6,12H,1-3H3
InChI Key:
DWOKJMQGRUJFJK-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1Cl)C(C)(C)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties