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85118-24-7 | 2-Bromo-4-(trifluoromethyl)benzaldehyde
CAS No: 85118-24-7 Catalog No: AG004O4L MDL No:MFCD09835101
Product Description
Catalog Number:
AG004O4L
Chemical Name:
2-Bromo-4-(trifluoromethyl)benzaldehyde
CAS Number:
85118-24-7
Molecular Formula:
C8H4BrF3O
Molecular Weight:
253.0160
MDL Number:
MFCD09835101
IUPAC Name:
2-bromo-4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChI Key:
CUKSTNNYAHZPRM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Br)C(F)(F)F
EC Number:
285-677-2
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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