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113388-04-8 | Benzenamine, 4-bromo-N-cyclohexyl-
CAS No: 113388-04-8 Catalog No: AG0008DM MDL No:
Product Description
Catalog Number:
AG0008DM
Chemical Name:
Benzenamine, 4-bromo-N-cyclohexyl-
CAS Number:
113388-04-8
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
IUPAC Name:
4-bromo-N-cyclohexylaniline
InChI:
InChI=1S/C12H16BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChI Key:
FQGLYWZKVCFREG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC1CCCCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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