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942144-28-7 | 4-bromooxepane
CAS No: 942144-28-7 Catalog No: AG01ELRR MDL No:MFCD21125007
Product Description
Catalog Number:
AG01ELRR
Chemical Name:
4-bromooxepane
CAS Number:
942144-28-7
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
MDL Number:
MFCD21125007
IUPAC Name:
4-bromooxepane
InChI:
InChI=1S/C6H11BrO/c7-6-2-1-4-8-5-3-6/h6H,1-5H2
InChI Key:
OQXUHHBEGCYJID-UHFFFAOYSA-N
SMILES:
BrC1CCOCCC1
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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