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26496-94-6 | Benzoic acid, 4-(bromomethyl)-, ethyl ester
CAS No: 26496-94-6 Catalog No: AG002TGU MDL No:MFCD03791307
Product Description
Catalog Number:
AG002TGU
Chemical Name:
Benzoic acid, 4-(bromomethyl)-, ethyl ester
CAS Number:
26496-94-6
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD03791307
IUPAC Name:
ethyl 4-(bromomethyl)benzoate
InChI:
InChI=1S/C10H11BrO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
InChI Key:
TWQLMAJROCNXEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)CBr
EC Number:
607-949-5
Properties
Complexity:
162
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:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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