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69695-61-0 | 2-Chloro-4-(Trifluoromethoxy)Aniline
CAS No: 69695-61-0 Catalog No: AG00337N MDL No:MFCD01631704
Product Description
Catalog Number:
AG00337N
Chemical Name:
2-Chloro-4-(Trifluoromethoxy)Aniline
CAS Number:
69695-61-0
Molecular Formula:
C7H5ClF3NO
Molecular Weight:
211.5689
MDL Number:
MFCD01631704
IUPAC Name:
2-chloro-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
InChI Key:
YMLWONHDNGICOH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Cl)OC(F)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.568g/mol
Monoisotopic Mass:
211.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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