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Home > Bromides > 1263284-52-1
1263284-52-1 | Benzoic acid, 3-bromo-2-propyl-
CAS No: 1263284-52-1 Catalog No: AG000SM5 MDL No:MFCD17676600
Product Description
Catalog Number:
AG000SM5
Chemical Name:
Benzoic acid, 3-bromo-2-propyl-
CAS Number:
1263284-52-1
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD17676600
IUPAC Name:
3-bromo-2-propylbenzoic acid
InChI:
InChI=1S/C10H11BrO2/c1-2-4-7-8(10(12)13)5-3-6-9(7)11/h3,5-6H,2,4H2,1H3,(H,12,13)
InChI Key:
OZYCMZGDFXPYFU-UHFFFAOYSA-N
SMILES:
CCCc1c(Br)cccc1C(=O)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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