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478484-53-6 | 2-(Bromomethyl);-1-methoxy-4-(trifluoromethoxy);benzene
CAS No: 478484-53-6 Catalog No: AG003HJ4 MDL No:MFCD04115961
Product Description
Catalog Number:
AG003HJ4
Chemical Name:
2-(Bromomethyl);-1-methoxy-4-(trifluoromethoxy);benzene
CAS Number:
478484-53-6
Molecular Formula:
C9H8BrF3O2
Molecular Weight:
285.0578
MDL Number:
MFCD04115961
IUPAC Name:
2-(bromomethyl)-1-methoxy-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C9H8BrF3O2/c1-14-8-3-2-7(4-6(8)5-10)15-9(11,12)13/h2-4H,5H2,1H3
InChI Key:
HSHYZUINFUNPJO-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1OC)OC(F)(F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.966g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.06g/mol
Monoisotopic Mass:
283.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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