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1255574-39-0 | Carbamic acid, N-[1-(3-chlorophenyl)cyclopropyl]-, phenylmethyl ester
CAS No: 1255574-39-0 Catalog No: AG000NUN MDL No:MFCD17926498
Product Description
Catalog Number:
AG000NUN
Chemical Name:
Carbamic acid, N-[1-(3-chlorophenyl)cyclopropyl]-, phenylmethyl ester
CAS Number:
1255574-39-0
Molecular Formula:
C17H16ClNO2
Molecular Weight:
301.7674
MDL Number:
MFCD17926498
IUPAC Name:
benzyl N-[1-(3-chlorophenyl)cyclopropyl]carbamate
InChI:
InChI=1S/C17H16ClNO2/c18-15-8-4-7-14(11-15)17(9-10-17)19-16(20)21-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)
InChI Key:
NTLIQLRJAQUQTM-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC1)c1cccc(c1)Cl)OCc1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.77g/mol
Monoisotopic Mass:
301.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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