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89738-98-7 | 1H-3-Benzazepine, 1-(3-chlorophenoxy)-2,3,4,5-tetrahydro-3-methyl-
CAS No: 89738-98-7 Catalog No: AG00416B MDL No:
Product Description
Catalog Number:
AG00416B
Chemical Name:
1H-3-Benzazepine, 1-(3-chlorophenoxy)-2,3,4,5-tetrahydro-3-methyl-
CAS Number:
89738-98-7
Molecular Formula:
C17H18ClNO
Molecular Weight:
287.7839
IUPAC Name:
5-(3-chlorophenoxy)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
InChI:
InChI=1S/C17H18ClNO/c1-19-10-9-13-5-2-3-8-16(13)17(12-19)20-15-7-4-6-14(18)11-15/h2-8,11,17H,9-10,12H2,1H3
InChI Key:
UUXSSYRAFLDINZ-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C(C1)Oc1cccc(c1)Cl)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.787g/mol
Monoisotopic Mass:
287.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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