Home Halogens Benzoic acid, 2-(bromomethyl)-4-methoxy-, ethyl ester

Benzoic acid, 2-(bromomethyl)-4-methoxy-, ethyl ester

CAS No.:
56427-63-5
Catalog Number:
AG00IA2L
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
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Product Description
Catalog Number:
AG00IA2L
Chemical Name:
Benzoic acid, 2-(bromomethyl)-4-methoxy-, ethyl ester
CAS Number:
56427-63-5
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD18642371
IUPAC Name:
ethyl 2-(bromomethyl)-4-methoxybenzoate
InChI:
InChI=1S/C11H13BrO3/c1-3-15-11(13)10-5-4-9(14-2)6-8(10)7-12/h4-6H,3,7H2,1-2H3
InChI Key:
NTRWNKUDEDMRBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1CBr)OC
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties