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18910-14-0 | Benzenepropanoic acid, α-bromo-3-carboxy-
CAS No: 18910-14-0 Catalog No: AG002HWB MDL No:
Product Description
Catalog Number:
AG002HWB
Chemical Name:
Benzenepropanoic acid, α-bromo-3-carboxy-
CAS Number:
18910-14-0
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
3-(2-bromo-2-carboxyethyl)benzoic acid
InChI:
InChI=1S/C10H9BrO4/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key:
KQJYLOJYMYQEFS-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)Cc1cccc(c1)C(=O)O
NSC Number:
101127
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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