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51605-98-2 | 2-Bromo-4-n-butylaniline
CAS No: 51605-98-2 Catalog No: AG01EWAX MDL No:MFCD11845937
Product Description
Catalog Number:
AG01EWAX
Chemical Name:
2-Bromo-4-n-butylaniline
CAS Number:
51605-98-2
Molecular Formula:
C10H14BrN
Molecular Weight:
228.1289
MDL Number:
MFCD11845937
IUPAC Name:
2-bromo-4-butylaniline
InChI:
InChI=1S/C10H14BrN/c1-2-3-4-8-5-6-10(12)9(11)7-8/h5-7H,2-4,12H2,1H3
InChI Key:
WJKALLIVRCQVOH-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)Br)N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.133g/mol
Monoisotopic Mass:
227.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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