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1260790-69-9 | Benzoic acid, 2-amino-5-bromo-4-chloro-, ethyl ester
CAS No: 1260790-69-9 Catalog No: AG000RA4 MDL No:MFCD16037362
Product Description
Catalog Number:
AG000RA4
Chemical Name:
Benzoic acid, 2-amino-5-bromo-4-chloro-, ethyl ester
CAS Number:
1260790-69-9
Molecular Formula:
C9H9BrClNO2
Molecular Weight:
278.5303
MDL Number:
MFCD16037362
IUPAC Name:
ethyl 2-amino-5-bromo-4-chlorobenzoate
InChI:
InChI=1S/C9H9BrClNO2/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4H,2,12H2,1H3
InChI Key:
WSDPTZSINKNKBS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(cc1N)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.53g/mol
Monoisotopic Mass:
276.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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