Home Other Building Blocks oxalic acid, {1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methanamine

oxalic acid, {1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methanamine

CAS No.:
1795485-29-8
Catalog Number:
AG01BFXS
Molecular Formula:
C12H13FN4O4
Molecular Weight:
296.2544
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Product Description
Catalog Number:
AG01BFXS
Chemical Name:
oxalic acid, {1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CAS Number:
1795485-29-8
Molecular Formula:
C12H13FN4O4
Molecular Weight:
296.2544
MDL Number:
MFCD28118760
IUPAC Name:
[1-[(4-fluorophenyl)methyl]triazol-4-yl]methanamine;oxalic acid
InChI:
InChI=1S/C10H11FN4.C2H2O4/c11-9-3-1-8(2-4-9)6-15-7-10(5-12)13-14-15;3-1(4)2(5)6/h1-4,7H,5-6,12H2;(H,3,4)(H,5,6)
InChI Key:
MYICKVQCVFWCSE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCc1nnn(c1)Cc1ccc(cc1)F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.092g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
296.258g/mol
Monoisotopic Mass:
296.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties