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Home Halogens 3-bromo-4-fluoro-N-(pyridin-4-ylmethyl)aniline hydrochloride

3-bromo-4-fluoro-N-(pyridin-4-ylmethyl)aniline hydrochloride

CAS No.:
1864015-94-0
Catalog Number:
AG01B7NG
Molecular Formula:
C12H11BrClFN2
Molecular Weight:
317.5845
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Product Description
Catalog Number:
AG01B7NG
Chemical Name:
3-bromo-4-fluoro-N-(pyridin-4-ylmethyl)aniline hydrochloride
CAS Number:
1864015-94-0
Molecular Formula:
C12H11BrClFN2
Molecular Weight:
317.5845
MDL Number:
MFCD28246293
IUPAC Name:
3-bromo-4-fluoro-N-(pyridin-4-ylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C12H10BrFN2.ClH/c13-11-7-10(1-2-12(11)14)16-8-9-3-5-15-6-4-9;/h1-7,16H,8H2;1H
InChI Key:
DMEBRNYPOFTRHL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Br)NCc1ccncc1.Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.978g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
317.586g/mol
Monoisotopic Mass:
315.978g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties