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[(1S,3R,4R,7S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid amine

[(1S,3R,4R,7S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid amine

CAS: 55870-50-3

Formula: C10H18BrNO4S

SMILES: N.C[C@]1(CS(O)(=O)=O)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br

IUPAC: [(1S,3R,4R,7S)-3-bromo-1,7-dimethyl-2-oxobicyclo[2.2.1]heptan-7-yl]methanesulfonic acid amine

InChI: InChI=1S/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3/t6-,7+,9+,10-;/m0./s1

Composition: C (36.59%), H (5.53%), Br (24.34%), N (4.27%), O (19.50%), S (9.77%)

Molar Mass: 328.22

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 327.013992
Formal Charge 0
FSP3 0.9
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GFBVBBRNPGPROZ-ORUKMIDOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.11
Topological Polar Surface Area 71.44
Polarizability 25.38
Ring Count 2
Rotatable Bond Count 2

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