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105655-17-2 | Benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester
CAS No: 105655-17-2 Catalog No: AG007VJ4 MDL No:MFCD08443938
Product Description
Catalog Number:
AG007VJ4
Chemical Name:
Benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester
CAS Number:
105655-17-2
Molecular Formula:
C8H7BrN2O4
Molecular Weight:
275.0562
MDL Number:
MFCD08443938
IUPAC Name:
methyl 4-amino-3-bromo-5-nitrobenzoate
InChI:
InChI=1S/C8H7BrN2O4/c1-15-8(12)4-2-5(9)7(10)6(3-4)11(13)14/h2-3H,10H2,1H3
InChI Key:
PRTLMEWWYBJZPN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.959g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.058g/mol
Monoisotopic Mass:
273.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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