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1250444-03-1 | Cyclobutanemethanamine, 3,3-difluoro-N-methyl-, hydrochloride (1:1)
CAS No: 1250444-03-1 Catalog No: AG000N0R MDL No:MFCD16987777
Product Description
Catalog Number:
AG000N0R
Chemical Name:
Cyclobutanemethanamine, 3,3-difluoro-N-methyl-, hydrochloride (1:1)
CAS Number:
1250444-03-1
Molecular Formula:
C6H12ClF2N
Molecular Weight:
171.6160
MDL Number:
MFCD16987777
IUPAC Name:
1-(3,3-difluorocyclobutyl)-N-methylmethanamine;hydrochloride
InChI:
InChI=1S/C6H11F2N.ClH/c1-9-4-5-2-6(7,8)3-5;/h5,9H,2-4H2,1H3;1H
InChI Key:
KKUOQRRUERFEIK-UHFFFAOYSA-N
SMILES:
CNCC1CC(C1)(F)F.Cl
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.616g/mol
Monoisotopic Mass:
171.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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