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1208077-26-2 | Methyl 3-Amino-2,4-dibromo-6-chlorobenzoate
CAS No: 1208077-26-2 Catalog No: AG01FAUT MDL No:MFCD12547831
Product Description
Catalog Number:
AG01FAUT
Chemical Name:
Methyl 3-Amino-2,4-dibromo-6-chlorobenzoate
CAS Number:
1208077-26-2
Molecular Formula:
C8H6Br2ClNO2
Molecular Weight:
343.3997
MDL Number:
MFCD12547831
IUPAC Name:
methyl 3-amino-2,4-dibromo-6-chlorobenzoate
InChI:
InChI=1S/C8H6Br2ClNO2/c1-14-8(13)5-4(11)2-3(9)7(12)6(5)10/h2H,12H2,1H3
InChI Key:
DJKGCPPEJRZBKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)cc(c(c1Br)N)Br
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.843g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.399g/mol
Monoisotopic Mass:
340.845g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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