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Home > Aldehydes > 1114808-95-5
1114808-95-5 | 2-Bromo-3-(trifluoromethyl);benzaldehyde
CAS No: 1114808-95-5 Catalog No: AG00828K MDL No:MFCD11520657
Product Description
Catalog Number:
AG00828K
Chemical Name:
2-Bromo-3-(trifluoromethyl);benzaldehyde
CAS Number:
1114808-95-5
Molecular Formula:
C8H4BrF3O
Molecular Weight:
253.0160
MDL Number:
MFCD11520657
IUPAC Name:
2-bromo-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4BrF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChI Key:
OAQHJQAZSSRUQA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Br)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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