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28721-08-6 | 5H-Dibenz[b,f]azepine-5-carbonyl chloride, 10-methoxy-
CAS No: 28721-08-6 Catalog No: AG002W9V MDL No:
Product Description
Catalog Number:
AG002W9V
Chemical Name:
5H-Dibenz[b,f]azepine-5-carbonyl chloride, 10-methoxy-
CAS Number:
28721-08-6
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
IUPAC Name:
5-methoxybenzo[b][1]benzazepine-11-carbonyl chloride
InChI:
InChI=1S/C16H12ClNO2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3
InChI Key:
ANRYPESGCUZAHS-UHFFFAOYSA-N
SMILES:
COC1=Cc2ccccc2N(c2c1cccc2)C(=O)Cl
EC Number:
608-240-3
UNII:
30H21765EJ
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.727g/mol
Monoisotopic Mass:
285.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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