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89766-09-6 | Carbonic acid,1-bromoethyl ethyl ester
CAS No: 89766-09-6 Catalog No: AG003ZPI MDL No:
Product Description
Catalog Number:
AG003ZPI
Chemical Name:
Carbonic acid,1-bromoethyl ethyl ester
CAS Number:
89766-09-6
Molecular Formula:
C5H9BrO3
Molecular Weight:
197.0272
IUPAC Name:
1-bromoethyl ethyl carbonate
InChI:
InChI=1S/C5H9BrO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3
InChI Key:
RKRZYVQFKUXDEZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)OC(Br)C
EC Number:
289-520-9
Properties
Complexity:
94.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.028g/mol
Monoisotopic Mass:
195.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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