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821777-30-4 | Benzonitrile, 4-[(cyclopropylmethyl)amino]-3-(trifluoromethyl)-
CAS No: 821777-30-4 Catalog No: AG005ITF MDL No:MFCD12120276
Product Description
Catalog Number:
AG005ITF
Chemical Name:
Benzonitrile, 4-[(cyclopropylmethyl)amino]-3-(trifluoromethyl)-
CAS Number:
821777-30-4
Molecular Formula:
C12H11F3N2
Molecular Weight:
240.2243
MDL Number:
MFCD12120276
IUPAC Name:
4-(cyclopropylmethylamino)-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C12H11F3N2/c13-12(14,15)10-5-9(6-16)3-4-11(10)17-7-8-1-2-8/h3-5,8,17H,1-2,7H2
InChI Key:
UMQZFTNEKQVHHK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)NCC1CC1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.229g/mol
Monoisotopic Mass:
240.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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