Home Other Building Blocks 2-Chloro-10,11-dihydrodibenzo[b,f]oxepin-10-ol

2-Chloro-10,11-dihydrodibenzo[b,f]oxepin-10-ol

CAS No.:
1415559-87-3
Catalog Number:
AG01D8UJ
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
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Product Description
Catalog Number:
AG01D8UJ
Chemical Name:
2-Chloro-10,11-dihydrodibenzo[b,f]oxepin-10-ol
CAS Number:
1415559-87-3
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD22124655
IUPAC Name:
3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-6-ol
InChI:
InChI=1S/C14H11ClO2/c15-10-5-6-13-9(7-10)8-12(16)11-3-1-2-4-14(11)17-13/h1-7,12,16H,8H2
InChI Key:
BOBLKKDSKFFQDH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CC(O)c1c(O2)cccc1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.045g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.69g/mol
Monoisotopic Mass:
246.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties