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1270574-32-7

1270574-32-7 | Benzenemethanamine, 2-bromo-5-chloro-α-ethyl-

CAS No: 1270574-32-7 Catalog No: AG000WMI MDL No:MFCD18709485

Product Description

Catalog Number:
AG000WMI
Chemical Name:
Benzenemethanamine, 2-bromo-5-chloro-α-ethyl-
CAS Number:
1270574-32-7
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
MDL Number:
MFCD18709485
IUPAC Name:
1-(2-bromo-5-chlorophenyl)propan-1-amine
InChI:
InChI=1S/C9H11BrClN/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9H,2,12H2,1H3
InChI Key:
XBQPZRVHQQWOOV-UHFFFAOYSA-N
SMILES:
CCC(c1cc(Cl)ccc1Br)N

Properties

Complexity:
143  
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:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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