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143667-04-3 | 4-(3-Bromopropoxy)aniline
CAS No: 143667-04-3 Catalog No: AG01FFIA MDL No:
Product Description
Catalog Number:
AG01FFIA
Chemical Name:
4-(3-Bromopropoxy)aniline
CAS Number:
143667-04-3
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
IUPAC Name:
4-(3-bromopropoxy)aniline
InChI:
InChI=1S/C9H12BrNO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7,11H2
InChI Key:
MEJDIEQCJKKKDY-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)N
Properties
Complexity:
113
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:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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