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

2-[(5-bromo-2-nitrophenyl)(methyl)amino]acetic acid

CAS No.:
305790-78-7
Catalog Number:
AG01B9PW
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
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Product Description
Catalog Number:
AG01B9PW
Chemical Name:
2-[(5-bromo-2-nitrophenyl)(methyl)amino]acetic acid
CAS Number:
305790-78-7
Molecular Formula:
C9H9BrN2O4
Molecular Weight:
289.0828
MDL Number:
MFCD21296038
IUPAC Name:
2-(5-bromo-N-methyl-2-nitroanilino)acetic acid
InChI:
InChI=1S/C9H9BrN2O4/c1-11(5-9(13)14)8-4-6(10)2-3-7(8)12(15)16/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
AFORJLZSRAFPSP-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1cc(Br)ccc1[N+](=O)[O-])C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.975g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.085g/mol
Monoisotopic Mass:
287.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties