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24653-99-4 | Benzenepropanoic acid, α,β-dibromo-4-chloro-
CAS No: 24653-99-4 Catalog No: AG002OYL MDL No:MFCD00043569
Product Description
Catalog Number:
AG002OYL
Chemical Name:
Benzenepropanoic acid, α,β-dibromo-4-chloro-
CAS Number:
24653-99-4
Molecular Formula:
C9H7Br2ClO2
Molecular Weight:
342.4117
MDL Number:
MFCD00043569
IUPAC Name:
2,3-dibromo-3-(4-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H7Br2ClO2/c10-7(8(11)9(13)14)5-1-3-6(12)4-2-5/h1-4,7-8H,(H,13,14)
InChI Key:
VVMCVHQTBODLRQ-UHFFFAOYSA-N
SMILES:
BrC(C(C(=O)O)Br)c1ccc(cc1)Cl
NSC Number:
122941
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.848g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.411g/mol
Monoisotopic Mass:
339.85g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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