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Home > Aldehydes > 477535-41-4
477535-41-4 | 3-Bromo-5-(Trifluoromethyl)Benzaldehyde
CAS No: 477535-41-4 Catalog No: AG0037TG MDL No:MFCD08059506
Product Description
Catalog Number:
AG0037TG
Chemical Name:
3-Bromo-5-(Trifluoromethyl)Benzaldehyde
CAS Number:
477535-41-4
Molecular Formula:
C8H4BrF3O
Molecular Weight:
253.0160
MDL Number:
MFCD08059506
IUPAC Name:
3-bromo-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
InChI Key:
PCRLZGCXLNNMFL-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc(c1)C(F)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.018g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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