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857272-02-7 | 6-(Chloromethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS No: 857272-02-7 Catalog No: AG004YLK MDL No:MFCD11110651
Product Description
Catalog Number:
AG004YLK
Chemical Name:
6-(Chloromethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS Number:
857272-02-7
Molecular Formula:
C13H16ClNO3
Molecular Weight:
269.7240
MDL Number:
MFCD11110651
IUPAC Name:
6-(chloromethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C13H16ClNO3/c1-17-6-2-5-15-11-7-10(8-14)3-4-12(11)18-9-13(15)16/h3-4,7H,2,5-6,8-9H2,1H3
InChI Key:
IQOIMKMZQVCXMK-UHFFFAOYSA-N
SMILES:
COCCCN1C(=O)COc2c1cc(CCl)cc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.725g/mol
Monoisotopic Mass:
269.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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