Home Halogens 4-bromo-2-chloro-N-(propan-2-yl)aniline

4-bromo-2-chloro-N-(propan-2-yl)aniline

CAS No.:
1098353-63-9
Catalog Number:
AG01AYK6
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
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Product Description
Catalog Number:
AG01AYK6
Chemical Name:
4-bromo-2-chloro-N-(propan-2-yl)aniline
CAS Number:
1098353-63-9
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
MDL Number:
MFCD11643620
IUPAC Name:
4-bromo-2-chloro-N-propan-2-ylaniline
InChI:
InChI=1S/C9H11BrClN/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3
InChI Key:
MMEBZTPZVFYIEJ-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1Cl)Br)C
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.548g/mol
Monoisotopic Mass:
246.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties