Home Aminos 2-(3-amino-4-nitrophenyl)acetic acid

2-(3-amino-4-nitrophenyl)acetic acid

CAS No.:
1261438-26-9
Catalog Number:
AG01BFYG
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG01BFYG
Chemical Name:
2-(3-amino-4-nitrophenyl)acetic acid
CAS Number:
1261438-26-9
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD28656911
IUPAC Name:
2-(3-amino-4-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H8N2O4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4,9H2,(H,11,12)
InChI Key:
OVTHDQWLOHGHPN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties