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13684-00-9 | Carbamic acid, (3-chlorophenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester (9CI)
CAS No: 13684-00-9 Catalog No: AG0012GI MDL No:
Product Description
Catalog Number:
AG0012GI
Chemical Name:
Carbamic acid, (3-chlorophenyl)-, 3-[(methoxycarbonyl)amino]phenyl ester (9CI)
CAS Number:
13684-00-9
Molecular Formula:
C15H13ClN2O4
Molecular Weight:
320.7277
IUPAC Name:
[3-(methoxycarbonylamino)phenyl] N-(3-chlorophenyl)carbamate
InChI:
InChI=1S/C15H13ClN2O4/c1-21-14(19)17-12-6-3-7-13(9-12)22-15(20)18-11-5-2-4-10(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChI Key:
JZDMOJBHPHXXHB-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)Cl
NSC Number:
222549
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.729g/mol
Monoisotopic Mass:
320.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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