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246876-04-0 | Benzenepropanoic acid, α,β,2-tribromo-
CAS No: 246876-04-0 Catalog No: AG002P0Z MDL No:
Product Description
Catalog Number:
AG002P0Z
Chemical Name:
Benzenepropanoic acid, α,β,2-tribromo-
CAS Number:
246876-04-0
Molecular Formula:
C9H7Br3O2
Molecular Weight:
386.8627
IUPAC Name:
2,3-dibromo-3-(2-bromophenyl)propanoic acid
InChI:
InChI=1S/C9H7Br3O2/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8H,(H,13,14)
InChI Key:
IOATZQRJTIURPY-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1ccccc1Br)Br)Br
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.798g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.865g/mol
Monoisotopic Mass:
383.8g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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