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Home > Aldehydes > 102684-91-3
102684-91-3 | Benzaldehyde, 2-bromo-5-(trifluoromethyl)-
CAS No: 102684-91-3 Catalog No: AG00083Y MDL No:MFCD04973760
Product Description
Catalog Number:
AG00083Y
Chemical Name:
Benzaldehyde, 2-bromo-5-(trifluoromethyl)-
CAS Number:
102684-91-3
Molecular Formula:
C8H4BrF3O
Molecular Weight:
253.0160
MDL Number:
MFCD04973760
IUPAC Name:
2-bromo-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChI Key:
CSOBJYGHQOLWOD-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)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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