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20469-57-2 | Butanedioic acid, 2-(bromomethyl)-
CAS No: 20469-57-2 Catalog No: AG0029NH MDL No:
Product Description
Catalog Number:
AG0029NH
Chemical Name:
Butanedioic acid, 2-(bromomethyl)-
CAS Number:
20469-57-2
Molecular Formula:
C5H7BrO4
Molecular Weight:
211.0107
IUPAC Name:
2-(bromomethyl)butanedioic acid
InChI:
InChI=1S/C5H7BrO4/c6-2-3(5(9)10)1-4(7)8/h3H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
HLTXOPWLZNXCHE-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)O)CC(=O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.011g/mol
Monoisotopic Mass:
209.953g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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