Home Other Building Blocks 4-(1,4-diazepan-1-yl)-3,5-difluorobenzoic acid hydrochloride

4-(1,4-diazepan-1-yl)-3,5-difluorobenzoic acid hydrochloride

CAS No.:
1797549-43-9
Catalog Number:
AG01ACDT
Molecular Formula:
C12H15ClF2N2O2
Molecular Weight:
292.7095
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Product Description
Catalog Number:
AG01ACDT
Chemical Name:
4-(1,4-diazepan-1-yl)-3,5-difluorobenzoic acid hydrochloride
CAS Number:
1797549-43-9
Molecular Formula:
C12H15ClF2N2O2
Molecular Weight:
292.7095
MDL Number:
MFCD26407956
IUPAC Name:
4-(1,4-diazepan-1-yl)-3,5-difluorobenzoic acid;hydrochloride
InChI:
InChI=1S/C12H14F2N2O2.ClH/c13-9-6-8(12(17)18)7-10(14)11(9)16-4-1-2-15-3-5-16;/h6-7,15H,1-5H2,(H,17,18);1H
InChI Key:
VZEYTWRDUAHIKF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)N1CCNCCC1.Cl
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
292.711g/mol
Monoisotopic Mass:
292.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties