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113591-73-4 | Ergoline-8-methanol, 2-chloro-8,9-didehydro-6-methyl- (9CI)
CAS No: 113591-73-4 Catalog No: AG00092G MDL No:
Product Description
Catalog Number:
AG00092G
Chemical Name:
Ergoline-8-methanol, 2-chloro-8,9-didehydro-6-methyl- (9CI)
CAS Number:
113591-73-4
Molecular Formula:
C16H17ClN2O
Molecular Weight:
288.7720
IUPAC Name:
(5-chloro-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)methanol
InChI:
InChI=1S/C16H17ClN2O/c1-19-7-9(8-20)5-11-10-3-2-4-13-15(10)12(6-14(11)19)16(17)18-13/h2-5,11,14,18,20H,6-8H2,1H3
InChI Key:
WNLBAYBWYUDDKS-UHFFFAOYSA-N
SMILES:
OCC1=C[C@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1Cl
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.775g/mol
Monoisotopic Mass:
288.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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