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13698-08-3 | Carbamic acid, N-(2-chlorohexyl)-, ethyl ester
CAS No: 13698-08-3 Catalog No: AG0012MO MDL No:
Product Description
Catalog Number:
AG0012MO
Chemical Name:
Carbamic acid, N-(2-chlorohexyl)-, ethyl ester
CAS Number:
13698-08-3
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
IUPAC Name:
ethyl N-(2-chlorohexyl)carbamate
InChI:
InChI=1S/C9H18ClNO2/c1-3-5-6-8(10)7-11-9(12)13-4-2/h8H,3-7H2,1-2H3,(H,11,12)
InChI Key:
YTGHSWQWUVVJKV-UHFFFAOYSA-N
SMILES:
CCCCC(CNC(=O)OCC)Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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