200,000+ products from a single source!
sales@angenechem.com
127437-29-0 | 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-diethyl ester
CAS No: 127437-29-0 Catalog No: AG000X2D MDL No:MFCD12913556
Product Description
Catalog Number:
AG000X2D
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-diethyl ester
CAS Number:
127437-29-0
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
MDL Number:
MFCD12913556
IUPAC Name:
diethyl 5-bromobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H13BrO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
ZDFHATYWKREQJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc(c1)C(=O)OCC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.