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127924-00-9 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(2-bromoethyl) ester
CAS No: 127924-00-9 Catalog No: AG000XKC MDL No:
Product Description
Catalog Number:
AG000XKC
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(2-bromoethyl) ester
CAS Number:
127924-00-9
Molecular Formula:
C12H17Br3O7
Molecular Weight:
512.9712
IUPAC Name:
tris(2-bromoethyl) 2-hydroxypropane-1,2,3-tricarboxylate
InChI:
InChI=1S/C12H17Br3O7/c13-1-4-20-9(16)7-12(19,11(18)22-6-3-15)8-10(17)21-5-2-14/h19H,1-8H2
InChI Key:
KESRAIZGURKHRD-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.85g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
512.973g/mol
Monoisotopic Mass:
509.852g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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