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1196157-40-0 | Cyclopropanamine, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
CAS No: 1196157-40-0 Catalog No: AG000PD9 MDL No:
Product Description
Catalog Number:
AG000PD9
Chemical Name:
Cyclopropanamine, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-
CAS Number:
1196157-40-0
Molecular Formula:
C10H9F2NO2
Molecular Weight:
213.1808
IUPAC Name:
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine
InChI:
InChI=1S/C10H9F2NO2/c11-10(12)14-7-2-1-6(5-8(7)15-10)9(13)3-4-9/h1-2,5H,3-4,13H2
InChI Key:
QLRXSZRQVDKVOA-UHFFFAOYSA-N
SMILES:
FC1(F)Oc2c(O1)cc(cc2)C1(N)CC1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.184g/mol
Monoisotopic Mass:
213.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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