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1190320-18-3 | 4-Quinolinemethanamine, 8-bromo-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1190320-18-3 Catalog No: AG000HWW MDL No:MFCD12922542
Product Description
Catalog Number:
AG000HWW
Chemical Name:
4-Quinolinemethanamine, 8-bromo-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1190320-18-3
Molecular Formula:
C12H10BrF3N2O2
Molecular Weight:
351.1192
MDL Number:
MFCD12922542
IUPAC Name:
(8-bromoquinolin-4-yl)methanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H9BrN2.C2HF3O2/c11-9-3-1-2-8-7(6-12)4-5-13-10(8)9;3-2(4,5)1(6)7/h1-5H,6,12H2;(H,6,7)
InChI Key:
FZNGTRGKARISHK-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCc1ccnc2c1cccc2Br
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.988g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.123g/mol
Monoisotopic Mass:
349.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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