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209809-20-1 | Benzeneacetic acid, 4-amino-3-bromo-, methyl ester
CAS No: 209809-20-1 Catalog No: AG002KFK MDL No:MFCD12547825
Product Description
Catalog Number:
AG002KFK
Chemical Name:
Benzeneacetic acid, 4-amino-3-bromo-, methyl ester
CAS Number:
209809-20-1
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD12547825
IUPAC Name:
methyl 2-(4-amino-3-bromophenyl)acetate
InChI:
InChI=1S/C9H10BrNO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5,11H2,1H3
InChI Key:
QGUPVNRGRHPHAR-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)Br)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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