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1257649-70-9 | Benzenamine, N-(2-bromo-2-cyclopenten-1-yl)-3-methoxy-N-methyl-
CAS No: 1257649-70-9 Catalog No: AG000ONN MDL No:
Product Description
Catalog Number:
AG000ONN
Chemical Name:
Benzenamine, N-(2-bromo-2-cyclopenten-1-yl)-3-methoxy-N-methyl-
CAS Number:
1257649-70-9
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
N-(2-bromocyclopent-2-en-1-yl)-3-methoxy-N-methylaniline
InChI:
InChI=1S/C13H16BrNO/c1-15(13-8-4-7-12(13)14)10-5-3-6-11(9-10)16-2/h3,5-7,9,13H,4,8H2,1-2H3
InChI Key:
YXRLRRZLILQLOV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N(C1CCC=C1Br)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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