Home Other Building Blocks (4,5-difluoro-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride

(4,5-difluoro-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride

CAS No.:
1201597-24-1
Catalog Number:
AG01DYHE
Molecular Formula:
C8H9Cl2F2N3
Molecular Weight:
256.0800
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Product Description
Catalog Number:
AG01DYHE
Chemical Name:
(4,5-difluoro-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride
CAS Number:
1201597-24-1
Molecular Formula:
C8H9Cl2F2N3
Molecular Weight:
256.0800
MDL Number:
MFCD31629375
IUPAC Name:
(4,5-difluoro-1H-benzimidazol-2-yl)methanamine;dihydrochloride
InChI:
InChI=1S/C8H7F2N3.2ClH/c9-4-1-2-5-8(7(4)10)13-6(3-11)12-5;;/h1-2H,3,11H2,(H,12,13);2*1H
InChI Key:
IPDRSQROEXHOQD-UHFFFAOYSA-N
SMILES:
NCc1nc2c([nH]1)ccc(c2F)F.Cl.Cl
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
256.078g/mol
Monoisotopic Mass:
255.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties