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892596-78-0 | (4-FLUOROBENZYL)2-PROPYN-1-YLAMINE
CAS No: 892596-78-0 Catalog No: AG0041R5 MDL No:MFCD07411979
Product Description
Catalog Number:
AG0041R5
Chemical Name:
(4-FLUOROBENZYL)2-PROPYN-1-YLAMINE
CAS Number:
892596-78-0
Molecular Formula:
C10H10FN
Molecular Weight:
163.1915
MDL Number:
MFCD07411979
IUPAC Name:
N-[(4-fluorophenyl)methyl]prop-2-yn-1-amine
InChI:
InChI=1S/C10H10FN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h1,3-6,12H,7-8H2
InChI Key:
ZFPBOTMQBZSPNT-UHFFFAOYSA-N
SMILES:
C#CCNCc1ccc(cc1)F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.195g/mol
Monoisotopic Mass:
163.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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