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76714-45-9 | Ethanone,2-bromo-1-(1-methylcyclopropyl)-
CAS No: 76714-45-9 Catalog No: AG005IJ2 MDL No:MFCD20621809
Product Description
Catalog Number:
AG005IJ2
Chemical Name:
Ethanone,2-bromo-1-(1-methylcyclopropyl)-
CAS Number:
76714-45-9
Molecular Formula:
C6H9BrO
Molecular Weight:
177.0391
MDL Number:
MFCD20621809
IUPAC Name:
2-bromo-1-(1-methylcyclopropyl)ethanone
InChI:
InChI=1S/C6H9BrO/c1-6(2-3-6)5(8)4-7/h2-4H2,1H3
InChI Key:
VCUXURBVRXWSQQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1(C)CC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.041g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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