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Home Halogens [5-(chlorodifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

[5-(chlorodifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride

CAS No.:
1423033-59-3
Catalog Number:
AG01A351
Molecular Formula:
C4H5Cl2F2N3O
Molecular Weight:
220.0048
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Product Description
Catalog Number:
AG01A351
Chemical Name:
[5-(chlorodifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride
CAS Number:
1423033-59-3
Molecular Formula:
C4H5Cl2F2N3O
Molecular Weight:
220.0048
MDL Number:
MFCD22628506
IUPAC Name:
[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C4H4ClF2N3O.ClH/c5-4(6,7)3-9-2(1-8)10-11-3;/h1,8H2;1H
InChI Key:
QOBYZYYXUWXUOW-UHFFFAOYSA-N
SMILES:
NCc1noc(n1)C(Cl)(F)F.Cl
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.978g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.001g/mol
Monoisotopic Mass:
218.978g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties