200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1365888-06-7
1365888-06-7 | 2-Propenoic acid, 3-[4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)-
CAS No: 1365888-06-7 Catalog No: AG00123J MDL No:MFCD28902190
Product Description
Catalog Number:
AG00123J
Chemical Name:
2-Propenoic acid, 3-[4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)-
CAS Number:
1365888-06-7
Molecular Formula:
C26H20ClFN2O2
Molecular Weight:
446.9006
MDL Number:
MFCD28902190
IUPAC Name:
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
InChI Key:
BURHGPHDEVGCEZ-KJGLQBJMSA-N
SMILES:
CC/C(=C(\c1ccc2c(c1)cn[nH]2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)F
UNII:
9MM2R1A06R
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
446.12g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
446.906g/mol
Monoisotopic Mass:
446.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.