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85098-73-3 | Carbamic acid,[2-[[(2-chloroethyl)amino]carbonyl]phenyl]-, methyl ester (9CI)
CAS No: 85098-73-3 Catalog No: AG004RMZ MDL No:
Product Description
Catalog Number:
AG004RMZ
Chemical Name:
Carbamic acid,[2-[[(2-chloroethyl)amino]carbonyl]phenyl]-, methyl ester (9CI)
CAS Number:
85098-73-3
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
IUPAC Name:
methyl N-[2-(2-chloroethylcarbamoyl)phenyl]carbamate
InChI:
InChI=1S/C11H13ClN2O3/c1-17-11(16)14-9-5-3-2-4-8(9)10(15)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChI Key:
JWVQGOOQLBZENQ-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)c1ccccc1NC(=O)OC
EC Number:
285-425-1
Properties
Complexity:
273
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:
2
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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