Home Other Building Blocks (2,5-difluorophenyl)(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

(2,5-difluorophenyl)(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride

CAS No.:
1240528-28-2
Catalog Number:
AG01A9QR
Molecular Formula:
C8H8ClF2N5
Molecular Weight:
247.6324
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Product Description
Catalog Number:
AG01A9QR
Chemical Name:
(2,5-difluorophenyl)(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride
CAS Number:
1240528-28-2
Molecular Formula:
C8H8ClF2N5
Molecular Weight:
247.6324
MDL Number:
MFCD16622197
IUPAC Name:
(2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine;hydrochloride
InChI:
InChI=1S/C8H7F2N5.ClH/c9-4-1-2-6(10)5(3-4)7(11)8-12-14-15-13-8;/h1-3,7H,11H2,(H,12,13,14,15);1H
InChI Key:
PKCDQOOSQQIYDA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(c1nnn[nH]1)N)F.Cl
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.634g/mol
Monoisotopic Mass:
247.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties