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13728-11-5 | Acetic acid, 2-[(4-chlorophenyl)nitrosoamino]-
CAS No: 13728-11-5 Catalog No: AG001327 MDL No:
Product Description
Catalog Number:
AG001327
Chemical Name:
Acetic acid, 2-[(4-chlorophenyl)nitrosoamino]-
CAS Number:
13728-11-5
Molecular Formula:
C8H7ClN2O3
Molecular Weight:
214.6058
IUPAC Name:
2-(4-chloro-N-nitrosoanilino)acetic acid
InChI:
InChI=1S/C8H7ClN2O3/c9-6-1-3-7(4-2-6)11(10-14)5-8(12)13/h1-4H,5H2,(H,12,13)
InChI Key:
QJXPOLSTGDPSGH-UHFFFAOYSA-N
SMILES:
O=NN(c1ccc(cc1)Cl)CC(=O)O
NSC Number:
121382
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.605g/mol
Monoisotopic Mass:
214.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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