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1215206-01-1 | Benzenamine, 3-bromo-5-fluoro-4-(phenylmethoxy)-
CAS No: 1215206-01-1 Catalog No: AG001568 MDL No:MFCD15143448
Product Description
Catalog Number:
AG001568
Chemical Name:
Benzenamine, 3-bromo-5-fluoro-4-(phenylmethoxy)-
CAS Number:
1215206-01-1
Molecular Formula:
C13H11BrFNO
Molecular Weight:
296.1349
MDL Number:
MFCD15143448
IUPAC Name:
3-bromo-5-fluoro-4-phenylmethoxyaniline
InChI:
InChI=1S/C13H11BrFNO/c14-11-6-10(16)7-12(15)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2
InChI Key:
XCHGNLNSKCOJMN-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(c(c1)Br)OCc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.139g/mol
Monoisotopic Mass:
295.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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