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13891-62-8 | Acetic acid, 2-bromo-, 2-bromoethyl ester
CAS No: 13891-62-8 Catalog No: AG0019TL MDL No:
Product Description
Catalog Number:
AG0019TL
Chemical Name:
Acetic acid, 2-bromo-, 2-bromoethyl ester
CAS Number:
13891-62-8
Molecular Formula:
C4H6Br2O2
Molecular Weight:
245.8972
IUPAC Name:
2-bromoethyl 2-bromoacetate
InChI:
InChI=1S/C4H6Br2O2/c5-1-2-8-4(7)3-6/h1-3H2
InChI Key:
BDYRVZMWIBIACG-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)CBr
NSC Number:
23982
Properties
Complexity:
74.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.871g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.898g/mol
Monoisotopic Mass:
243.873g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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