200,000+ products from a single source!
sales@angenechem.com
80070-77-5 | 2-Buten-1-one, 3-amino-1-(4-bromophenyl)-4,4,4-trifluoro-
CAS No: 80070-77-5 Catalog No: AG005DHX MDL No:
Product Description
Catalog Number:
AG005DHX
Chemical Name:
2-Buten-1-one, 3-amino-1-(4-bromophenyl)-4,4,4-trifluoro-
CAS Number:
80070-77-5
Molecular Formula:
C10H7BrF3NO
Molecular Weight:
294.0679
IUPAC Name:
3-amino-1-(4-bromophenyl)-4,4,4-trifluorobut-2-en-1-one
InChI:
InChI=1S/C10H7BrF3NO/c11-7-3-1-6(2-4-7)8(16)5-9(15)10(12,13)14/h1-5H,15H2
InChI Key:
HHZZBBNZNULOIU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)C=C(C(F)(F)F)N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.071g/mol
Monoisotopic Mass:
292.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.