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306934-86-1 | 2H-1,5-Benzodioxepin-7-carbonyl chloride, 3,4-dihydro-
CAS No: 306934-86-1 Catalog No: AG0030UD MDL No:MFCD02677702
Product Description
Catalog Number:
AG0030UD
Chemical Name:
2H-1,5-Benzodioxepin-7-carbonyl chloride, 3,4-dihydro-
CAS Number:
306934-86-1
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD02677702
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl chloride
InChI:
InChI=1S/C10H9ClO3/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2
InChI Key:
DEUUMBWFBYMBNA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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