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41459-42-1 | 3-Bromo-2-(bromomethyl);propanoic acid
CAS No: 41459-42-1 Catalog No: AG0033LQ MDL No:MFCD00010643
Product Description
Catalog Number:
AG0033LQ
Chemical Name:
3-Bromo-2-(bromomethyl);propanoic acid
CAS Number:
41459-42-1
Molecular Formula:
C4H6Br2O2
Molecular Weight:
245.8972
MDL Number:
MFCD00010643
IUPAC Name:
3-bromo-2-(bromomethyl)propanoic acid
InChI:
InChI=1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChI Key:
QQZJWQCLWOQDQV-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)O)CBr
NSC Number:
259720
Properties
Complexity:
80.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.871g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.898g/mol
Monoisotopic Mass:
243.873g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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