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120-04-7 | Acetic acid, 2-[3-(5-chloro-2-methoxyphenyl)-1-methyl-2-triazen-1-yl]-
CAS No: 120-04-7 Catalog No: AG000Q0F MDL No:
Product Description
Catalog Number:
AG000Q0F
Chemical Name:
Acetic acid, 2-[3-(5-chloro-2-methoxyphenyl)-1-methyl-2-triazen-1-yl]-
CAS Number:
120-04-7
Molecular Formula:
C10H12ClN3O3
Molecular Weight:
257.6736
IUPAC Name:
2-[[(5-chloro-2-methoxyphenyl)diazenyl]-methylamino]acetic acid
InChI:
InChI=1S/C10H12ClN3O3/c1-14(6-10(15)16)13-12-8-5-7(11)3-4-9(8)17-2/h3-5H,6H2,1-2H3,(H,15,16)
InChI Key:
GTGAPSOELDTFTP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N=NN(CC(=O)O)C)Cl
EC Number:
204-365-9
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.674g/mol
Monoisotopic Mass:
257.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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