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1208077-52-4 | Methyl 4-Amino-3,5-dibromophenylacetate
CAS No: 1208077-52-4 Catalog No: AG01FC84 MDL No:MFCD12547824
Product Description
Catalog Number:
AG01FC84
Chemical Name:
Methyl 4-Amino-3,5-dibromophenylacetate
CAS Number:
1208077-52-4
Molecular Formula:
C9H9Br2NO2
Molecular Weight:
322.9813
MDL Number:
MFCD12547824
IUPAC Name:
methyl 2-(4-amino-3,5-dibromophenyl)acetate
InChI:
InChI=1S/C9H9Br2NO2/c1-14-8(13)4-5-2-6(10)9(12)7(11)3-5/h2-3H,4,12H2,1H3
InChI Key:
MUBUNEUYOFOQRO-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(Br)c(c(c1)Br)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.898g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.984g/mol
Monoisotopic Mass:
320.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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