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13909-24-5 | Benzoic acid, 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-
CAS No: 13909-24-5 Catalog No: AG001A8D MDL No:
Product Description
Catalog Number:
AG001A8D
Chemical Name:
Benzoic acid, 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-
CAS Number:
13909-24-5
Molecular Formula:
C10H10ClN3O4
Molecular Weight:
271.6571
IUPAC Name:
3-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid
InChI:
InChI=1S/C10H10ClN3O4/c11-4-5-14(13-18)10(17)12-8-3-1-2-7(6-8)9(15)16/h1-3,6H,4-5H2,(H,12,17)(H,15,16)
InChI Key:
AHQZKPMOYGTHGK-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1cccc(c1)C(=O)O)N=O
NSC Number:
84526
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.657g/mol
Monoisotopic Mass:
271.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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