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13908-53-7 | Benzeneacetic acid, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS No: 13908-53-7 Catalog No: AG001A75 MDL No:
Product Description
Catalog Number:
AG001A75
Chemical Name:
Benzeneacetic acid, 4-[[[(2-chloroethyl)amino]carbonyl]amino]-
CAS Number:
13908-53-7
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
IUPAC Name:
2-[4-(2-chloroethylcarbamoylamino)phenyl]acetic acid
InChI:
InChI=1S/C11H13ClN2O3/c12-5-6-13-11(17)14-9-3-1-8(2-4-9)7-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17)
InChI Key:
AFIDABFWFCTLLC-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)CC(=O)O
NSC Number:
113284
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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