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Home > Aldehydes > 876132-77-3
876132-77-3 | 3-Bromo-5-(trifluoromethyl)benzaldehyde oxime
CAS No: 876132-77-3 Catalog No: AG004LQQ MDL No:MFCD09475833
Product Description
Catalog Number:
AG004LQQ
Chemical Name:
3-Bromo-5-(trifluoromethyl)benzaldehyde oxime
CAS Number:
876132-77-3
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
MDL Number:
MFCD09475833
IUPAC Name:
(NE)-N-[[3-bromo-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
InChI:
InChI=1S/C8H5BrF3NO/c9-7-2-5(4-13-14)1-6(3-7)8(10,11)12/h1-4,14H/b13-4+
InChI Key:
IHTCFZSIRFGSFD-YIXHJXPBSA-N
SMILES:
O/N=C/c1cc(Br)cc(c1)C(F)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.033g/mol
Monoisotopic Mass:
266.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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