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1000339-94-5

1000339-94-5 | Phenol, 3-chloro-4-(trifluoromethoxy)-

CAS No: 1000339-94-5 Catalog No: AG0000DC MDL No:MFCD04972754

Product Description

Catalog Number:
AG0000DC
Chemical Name:
Phenol, 3-chloro-4-(trifluoromethoxy)-
CAS Number:
1000339-94-5
Molecular Formula:
C7H4ClF3O2
Molecular Weight:
212.5537
MDL Number:
MFCD04972754
IUPAC Name:
3-chloro-4-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4ClF3O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChI Key:
ZDKAPCMMTRJKTR-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)OC(F)(F)F

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.552g/mol
Monoisotopic Mass:
211.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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