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111128-12-2 | 2-(4-(Bromomethyl)phenyl)propanoic acid
CAS No: 111128-12-2 Catalog No: AG003EV3 MDL No:MFCD02093445
Product Description
Catalog Number:
AG003EV3
Chemical Name:
2-(4-(Bromomethyl)phenyl)propanoic acid
CAS Number:
111128-12-2
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD02093445
IUPAC Name:
2-[4-(bromomethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
QQXBRVQJMKBAOZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(C(=O)O)C
Properties
Complexity:
174
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:
2.5
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