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1019442-22-8 | Benzenamine, 5-bromo-2-(1-methylethoxy)-
CAS No: 1019442-22-8 Catalog No: AG000614 MDL No:MFCD11132974
Product Description
Catalog Number:
AG000614
Chemical Name:
Benzenamine, 5-bromo-2-(1-methylethoxy)-
CAS Number:
1019442-22-8
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD11132974
IUPAC Name:
5-bromo-2-propan-2-yloxyaniline
InChI:
InChI=1S/C9H12BrNO/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,11H2,1-2H3
InChI Key:
ZLBJGAIDWQCWTD-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1N)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:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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