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50638-50-1 | 4-Bromo-N,N,3-trimethylaniline
CAS No: 50638-50-1 Catalog No: AG003L0L MDL No:MFCD01851099
Product Description
Catalog Number:
AG003L0L
Chemical Name:
4-Bromo-N,N,3-trimethylaniline
CAS Number:
50638-50-1
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD01851099
IUPAC Name:
4-bromo-N,N,3-trimethylaniline
InChI:
InChI=1S/C9H12BrN/c1-7-6-8(11(2)3)4-5-9(7)10/h4-6H,1-3H3
InChI Key:
DPFVFQHTPIFECX-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)C)Br)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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