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3045-92-9 | Bicyclo[4.1.0]heptane, 7,7-dibromo-1-methoxy-
CAS No: 3045-92-9 Catalog No: AG00306E MDL No:
Product Description
Catalog Number:
AG00306E
Chemical Name:
Bicyclo[4.1.0]heptane, 7,7-dibromo-1-methoxy-
CAS Number:
3045-92-9
Molecular Formula:
C8H12Br2O
Molecular Weight:
283.9883
IUPAC Name:
7,7-dibromo-1-methoxybicyclo[4.1.0]heptane
InChI:
InChI=1S/C8H12Br2O/c1-11-7-5-3-2-4-6(7)8(7,9)10/h6H,2-5H2,1H3
InChI Key:
PGDSYAHFKQPGOM-UHFFFAOYSA-N
SMILES:
COC12CCCCC1C2(Br)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.923g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.991g/mol
Monoisotopic Mass:
281.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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