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1208077-67-1 | Ethyl 3-Amino-2,4-dibromo-6-chlorobenzoic acid
CAS No: 1208077-67-1 Catalog No: AG01FA05 MDL No:MFCD12547832
Product Description
Catalog Number:
AG01FA05
Chemical Name:
Ethyl 3-Amino-2,4-dibromo-6-chlorobenzoic acid
CAS Number:
1208077-67-1
Molecular Formula:
C9H8Br2ClNO2
Molecular Weight:
357.4263
MDL Number:
MFCD12547832
IUPAC Name:
3-amino-2,4-dibromo-6-chloro-5-ethylbenzoic acid
InChI:
InChI=1S/C9H8Br2ClNO2/c1-2-3-5(10)8(13)6(11)4(7(3)12)9(14)15/h2,13H2,1H3,(H,14,15)
InChI Key:
ADYOVPVNBMEMIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)cc(c(c1Br)N)Br
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.859g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.426g/mol
Monoisotopic Mass:
354.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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