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160313-69-9

160313-69-9 | Benzoic acid, 4-bromo-3-methyl-, ethyl ester

CAS No: 160313-69-9 Catalog No: AG001RTT MDL No:MFCD00673007

Product Description

Catalog Number:
AG001RTT
Chemical Name:
Benzoic acid, 4-bromo-3-methyl-, ethyl ester
CAS Number:
160313-69-9
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD00673007
IUPAC Name:
ethyl 4-bromo-3-methylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
GIGDAWLJINYIFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C)Br
EC Number:
605-204-9

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:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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