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26310-04-3 | 2-Propanol, 1-[(4-chlorophenyl)methoxy]-3-(2-propynyloxy)-, carbamate (9CI)
CAS No: 26310-04-3 Catalog No: AG002SNS MDL No:
Product Description
Catalog Number:
AG002SNS
Chemical Name:
2-Propanol, 1-[(4-chlorophenyl)methoxy]-3-(2-propynyloxy)-, carbamate (9CI)
CAS Number:
26310-04-3
Molecular Formula:
C14H16ClNO4
Molecular Weight:
297.7341
IUPAC Name:
[1-[(4-chlorophenyl)methoxy]-3-prop-2-ynoxypropan-2-yl] carbamate
InChI:
InChI=1S/C14H16ClNO4/c1-2-7-18-9-13(20-14(16)17)10-19-8-11-3-5-12(15)6-4-11/h1,3-6,13H,7-10H2,(H2,16,17)
InChI Key:
XUHAUNZHOUEFOS-UHFFFAOYSA-N
SMILES:
C#CCOCC(OC(=O)N)COCc1ccc(cc1)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.735g/mol
Monoisotopic Mass:
297.077g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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