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40258-78-4 | 1-Bromoethyl Acetate
CAS No: 40258-78-4 Catalog No: AG0032Q5 MDL No:MFCD08061392
Product Description
Catalog Number:
AG0032Q5
Chemical Name:
1-Bromoethyl Acetate
CAS Number:
40258-78-4
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
MDL Number:
MFCD08061392
IUPAC Name:
1-bromoethyl acetate
InChI:
InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
InChI Key:
IIASCQBFNHWZBE-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C)Br
EC Number:
609-807-8
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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