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18910-05-9 | Benzenepropanoic acid, α-bromo-3-methyl-
CAS No: 18910-05-9 Catalog No: AG002HVE MDL No:
Product Description
Catalog Number:
AG002HVE
Chemical Name:
Benzenepropanoic acid, α-bromo-3-methyl-
CAS Number:
18910-05-9
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
2-bromo-3-(3-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11BrO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
InChI Key:
CVHXNIZMJVFQGZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cccc(c1)C)Br
NSC Number:
101121
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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