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17582-64-8 | Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2R,3S)-rel-
CAS No: 17582-64-8 Catalog No: AG00218A MDL No:
Product Description
Catalog Number:
AG00218A
Chemical Name:
Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2R,3S)-rel-
CAS Number:
17582-64-8
Molecular Formula:
C6H8Br2O4
Molecular Weight:
303.9333
IUPAC Name:
dimethyl (2S,3R)-2,3-dibromobutanedioate
InChI:
InChI=1S/C6H8Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3/t3-,4+
InChI Key:
XQBOXCHKENCESQ-ZXZARUISSA-N
SMILES:
COC(=O)[C@H]([C@H](C(=O)OC)Br)Br
NSC Number:
12438
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
303.877g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.934g/mol
Monoisotopic Mass:
301.879g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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