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833451-97-1 | Benzenemethanol, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-
CAS No: 833451-97-1 Catalog No: AG0055SR MDL No:
Product Description
Catalog Number:
AG0055SR
Chemical Name:
Benzenemethanol, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-
CAS Number:
833451-97-1
Molecular Formula:
C13H9F3INO
Molecular Weight:
379.1163
IUPAC Name:
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol
InChI:
InChI=1S/C13H9F3INO/c14-9-3-1-7(6-19)13(12(9)16)18-11-4-2-8(17)5-10(11)15/h1-5,18-19H,6H2
InChI Key:
IDHXMRISFLCDAF-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1Nc1ccc(cc1F)I)F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.968g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.121g/mol
Monoisotopic Mass:
378.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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