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175880-30-5 | Pyridinium, 1-(difluoromethyl)-4-(dimethylamino)-, bromide (1:1)
CAS No: 175880-30-5 Catalog No: AG00219J MDL No:
Product Description
Catalog Number:
AG00219J
Chemical Name:
Pyridinium, 1-(difluoromethyl)-4-(dimethylamino)-, bromide (1:1)
CAS Number:
175880-30-5
Molecular Formula:
C8H11BrF2N2
Molecular Weight:
253.0871
IUPAC Name:
1-(difluoromethyl)-N,N-dimethylpyridin-1-ium-4-amine;bromide
InChI:
InChI=1S/C8H11F2N2.BrH/c1-11(2)7-3-5-12(6-4-7)8(9)10;/h3-6,8H,1-2H3;1H/q+1;/p-1
InChI Key:
QSYJXYPUDIQICM-UHFFFAOYSA-M
SMILES:
CN(c1cc[n+](cc1)C(F)F)C.[Br-]
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.091g/mol
Monoisotopic Mass:
252.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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