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116156-24-2 | Ethanol, 2-(2-bromoethoxy)-, carbonate (2:1) (9CI)
CAS No: 116156-24-2 Catalog No: AG000BRM MDL No:
Product Description
Catalog Number:
AG000BRM
Chemical Name:
Ethanol, 2-(2-bromoethoxy)-, carbonate (2:1) (9CI)
CAS Number:
116156-24-2
Molecular Formula:
C9H20Br2O7
Molecular Weight:
400.0589
IUPAC Name:
2-(2-bromoethoxy)ethanol;carbonic acid
InChI:
InChI=1S/2C4H9BrO2.CH2O3/c2*5-1-3-7-4-2-6;2-1(3)4/h2*6H,1-4H2;(H2,2,3,4)
InChI Key:
FVHPFHNTFIXDID-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCCOCCBr.OCCOCCBr
Properties
Complexity:
59.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.956g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
400.06g/mol
Monoisotopic Mass:
397.958g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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