Home Halogens propyl 2-amino-5-bromobenzoate

propyl 2-amino-5-bromobenzoate

CAS No.:
1178634-57-5
Catalog Number:
AG01A807
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
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Product Description
Catalog Number:
AG01A807
Chemical Name:
propyl 2-amino-5-bromobenzoate
CAS Number:
1178634-57-5
Molecular Formula:
C10H12BrNO2
Molecular Weight:
258.1118
MDL Number:
MFCD12149109
IUPAC Name:
propyl 2-amino-5-bromobenzoate
InChI:
InChI=1S/C10H12BrNO2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5,12H2,1H3
InChI Key:
RZNWHBKKKOQGIW-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1cc(Br)ccc1N
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.115g/mol
Monoisotopic Mass:
257.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties