200,000+ products from a single source!
sales@angenechem.com
81078-35-5 | 3H-2-Benzazepine, 5-bromo-8-chloro-1-(2-fluorophenyl)-, hydrochloride
CAS No: 81078-35-5 Catalog No: AG00561Y MDL No:
Product Description
Catalog Number:
AG00561Y
Chemical Name:
3H-2-Benzazepine, 5-bromo-8-chloro-1-(2-fluorophenyl)-, hydrochloride
CAS Number:
81078-35-5
Molecular Formula:
C16H11BrCl2FN
Molecular Weight:
387.0736
IUPAC Name:
5-bromo-8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine;hydrochloride
InChI:
InChI=1S/C16H10BrClFN.ClH/c17-14-7-8-20-16(12-3-1-2-4-15(12)19)13-9-10(18)5-6-11(13)14;/h1-7,9H,8H2;1H
InChI Key:
MQGUXIOVLZIITK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2Br)c1ccccc1F.Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.944g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.073g/mol
Monoisotopic Mass:
384.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.