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194487-60-0 | Benzoic acid, 4-bromo-2-propyl-
CAS No: 194487-60-0 Catalog No: AG01FEY3 MDL No:
Product Description
Catalog Number:
AG01FEY3
Chemical Name:
Benzoic acid, 4-bromo-2-propyl-
CAS Number:
194487-60-0
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
4-bromo-2-propylbenzoic acid
InChI:
InChI=1S/C10H11BrO2/c1-2-3-7-6-8(11)4-5-9(7)10(12)13/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
AASGHXKDKHPZOO-UHFFFAOYSA-N
SMILES:
CCCc1cc(Br)ccc1C(=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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