Home Halogens 2-[(2-chloro-6-nitrophenyl)formamido]acetic acid

2-[(2-chloro-6-nitrophenyl)formamido]acetic acid

CAS No.:
1269152-39-7
Catalog Number:
AG01AGSC
Molecular Formula:
C9H7ClN2O5
Molecular Weight:
258.6153
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Product Description
Catalog Number:
AG01AGSC
Chemical Name:
2-[(2-chloro-6-nitrophenyl)formamido]acetic acid
CAS Number:
1269152-39-7
Molecular Formula:
C9H7ClN2O5
Molecular Weight:
258.6153
MDL Number:
MFCD18380640
IUPAC Name:
2-[(2-chloro-6-nitrobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H7ClN2O5/c10-5-2-1-3-6(12(16)17)8(5)9(15)11-4-7(13)14/h1-3H,4H2,(H,11,15)(H,13,14)
InChI Key:
DDSUIEKXBYCNFR-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.004g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.614g/mol
Monoisotopic Mass:
258.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties