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113446-12-1 | Methanone, (7-bromobicyclo[4.1.0]hept-7-yl)phenyl-
CAS No: 113446-12-1 Catalog No: AG0008LT MDL No:
Product Description
Catalog Number:
AG0008LT
Chemical Name:
Methanone, (7-bromobicyclo[4.1.0]hept-7-yl)phenyl-
CAS Number:
113446-12-1
Molecular Formula:
C14H15BrO
Molecular Weight:
279.1723
IUPAC Name:
(7-bromo-7-bicyclo[4.1.0]heptanyl)-phenylmethanone
InChI:
InChI=1S/C14H15BrO/c15-14(11-8-4-5-9-12(11)14)13(16)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChI Key:
QSOGLCNLTFENAN-UHFFFAOYSA-N
SMILES:
O=C(C1(Br)C2C1CCCC2)c1ccccc1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.177g/mol
Monoisotopic Mass:
278.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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