Home Halogens 2-[(5-bromo-2-nitrophenyl)amino]-2-methylpropanoic acid

2-[(5-bromo-2-nitrophenyl)amino]-2-methylpropanoic acid

CAS No.:
1491844-40-6
Catalog Number:
AG01BG51
Molecular Formula:
C10H11BrN2O4
Molecular Weight:
303.1093
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Product Description
Catalog Number:
AG01BG51
Chemical Name:
2-[(5-bromo-2-nitrophenyl)amino]-2-methylpropanoic acid
CAS Number:
1491844-40-6
Molecular Formula:
C10H11BrN2O4
Molecular Weight:
303.1093
MDL Number:
MFCD21513350
IUPAC Name:
2-(5-bromo-2-nitroanilino)-2-methylpropanoic acid
InChI:
InChI=1S/C10H11BrN2O4/c1-10(2,9(14)15)12-7-5-6(11)3-4-8(7)13(16)17/h3-5,12H,1-2H3,(H,14,15)
InChI Key:
JUXADKUAOFGHOD-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)NC(C(=O)O)(C)C)[N+](=O)[O-]
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.99g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.112g/mol
Monoisotopic Mass:
301.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties