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1264034-44-7 | 3-Pyrrolidinol, 1-(6-bromo-2-pyridinyl)-, (3R)-
CAS No: 1264034-44-7 Catalog No: AG000SR4 MDL No:
Product Description
Catalog Number:
AG000SR4
Chemical Name:
3-Pyrrolidinol, 1-(6-bromo-2-pyridinyl)-, (3R)-
CAS Number:
1264034-44-7
Molecular Formula:
C9H11BrN2O
Molecular Weight:
243.1004
IUPAC Name:
(3R)-1-(6-bromopyridin-2-yl)pyrrolidin-3-ol
InChI:
InChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-5-4-7(13)6-12/h1-3,7,13H,4-6H2/t7-/m1/s1
InChI Key:
WWHTZWXAZJJPRA-SSDOTTSWSA-N
SMILES:
O[C@@H]1CCN(C1)c1cccc(n1)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.104g/mol
Monoisotopic Mass:
242.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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