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Home > Bromides > 1261475-94-8
1261475-94-8 | Benzenepropanoic acid, 3,4-dibromo-
CAS No: 1261475-94-8 Catalog No: AG000RRT MDL No:MFCD18394578
Product Description
Catalog Number:
AG000RRT
Chemical Name:
Benzenepropanoic acid, 3,4-dibromo-
CAS Number:
1261475-94-8
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD18394578
IUPAC Name:
3-(3,4-dibromophenyl)propanoic acid
InChI:
InChI=1S/C9H8Br2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
JFVVILSPVBLQOH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)Br)Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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