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114997-91-0 | Benzoxazole, 2-chloro-5-(trifluoromethyl)-
CAS No: 114997-91-0 Catalog No: AG000FIY MDL No:MFCD18250484
Product Description
Catalog Number:
AG000FIY
Chemical Name:
Benzoxazole, 2-chloro-5-(trifluoromethyl)-
CAS Number:
114997-91-0
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD18250484
IUPAC Name:
2-chloro-5-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H3ClF3NO/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H
InChI Key:
USIZXRJQPABFJF-UHFFFAOYSA-N
SMILES:
Clc1oc2c(n1)cc(cc2)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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