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1397198-62-7 | Benzenamine, N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)-
CAS No: 1397198-62-7 Catalog No: AG001BL6 MDL No:
Product Description
Catalog Number:
AG001BL6
Chemical Name:
Benzenamine, N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)-
CAS Number:
1397198-62-7
Molecular Formula:
C12H14F3NO
Molecular Weight:
245.2409
IUPAC Name:
N-(cyclopropylmethyl)-4-methoxy-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C12H14F3NO/c1-17-11-5-4-9(16-7-8-2-3-8)6-10(11)12(13,14)15/h4-6,8,16H,2-3,7H2,1H3
InChI Key:
KBGUVISBRSVWDY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)NCC1CC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.245g/mol
Monoisotopic Mass:
245.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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