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89376-32-9 | 3H-2-Benzazepine, 5-bromo-8-chloro-1-phenyl-
CAS No: 89376-32-9 Catalog No: AG003WC7 MDL No:
Product Description
Catalog Number:
AG003WC7
Chemical Name:
3H-2-Benzazepine, 5-bromo-8-chloro-1-phenyl-
CAS Number:
89376-32-9
Molecular Formula:
C16H11BrClN
Molecular Weight:
332.6222
IUPAC Name:
5-bromo-8-chloro-1-phenyl-3H-2-benzazepine
InChI:
InChI=1S/C16H11BrClN/c17-15-8-9-19-16(11-4-2-1-3-5-11)14-10-12(18)6-7-13(14)15/h1-8,10H,9H2
InChI Key:
LNSQAJGEVZJVJA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2Br)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.625g/mol
Monoisotopic Mass:
330.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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