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Home > Bromides > 2031261-27-3
2031261-27-3 | 4-bromo-N-propylaniline hydrochloride
CAS No: 2031261-27-3 Catalog No: AG01FN0Q MDL No:MFCD30179979
Product Description
Catalog Number:
AG01FN0Q
Chemical Name:
4-bromo-N-propylaniline hydrochloride
CAS Number:
2031261-27-3
Molecular Formula:
C9H13BrClN
Molecular Weight:
250.5632
MDL Number:
MFCD30179979
IUPAC Name:
4-bromo-N-propylaniline;hydrochloride
InChI:
InChI=1S/C9H12BrN.ClH/c1-2-7-11-9-5-3-8(10)4-6-9;/h3-6,11H,2,7H2,1H3;1H
InChI Key:
LMHNESRRVGJFIJ-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1)Br.Cl
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.564g/mol
Monoisotopic Mass:
248.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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