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46064-79-3 | Methyl 3-amino-4-bromobenzoate
CAS No: 46064-79-3 Catalog No: AG003RR2 MDL No:MFCD00553090
Product Description
Catalog Number:
AG003RR2
Chemical Name:
Methyl 3-amino-4-bromobenzoate
CAS Number:
46064-79-3
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD00553090
IUPAC Name:
methyl 3-amino-4-bromobenzoate
InChI:
InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
InChI Key:
GPMSTDWXXKAKCT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N)Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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