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25961-11-9 | Ethanone, 1-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-
CAS No: 25961-11-9 Catalog No: AG002R6Z MDL No:MFCD01632170
Product Description
Catalog Number:
AG002R6Z
Chemical Name:
Ethanone, 1-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-
CAS Number:
25961-11-9
Molecular Formula:
C16H14ClNO
Molecular Weight:
271.7415
MDL Number:
MFCD01632170
IUPAC Name:
1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
InChI:
InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3
InChI Key:
NMZOSOMVILZBJL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(C(=O)C)c1ccccc1CC2
EC Number:
247-371-7
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.744g/mol
Monoisotopic Mass:
271.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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