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13908-44-6 | Benzoic acid, 2-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS No: 13908-44-6 Catalog No: AG001A5Z MDL No:
Product Description
Catalog Number:
AG001A5Z
Chemical Name:
Benzoic acid, 2-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS Number:
13908-44-6
Molecular Formula:
C10H11ClN2O3
Molecular Weight:
242.6589
IUPAC Name:
2-(2-chloroethylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C10H11ClN2O3/c11-5-6-12-10(16)13-8-4-2-1-3-7(8)9(14)15/h1-4H,5-6H2,(H,14,15)(H2,12,13,16)
InChI Key:
DOEFHRFLTIQIFS-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccccc1C(=O)O
NSC Number:
83270
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.659g/mol
Monoisotopic Mass:
242.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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