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1379309-53-1 | 5-Bromo-2-cyclopropylphenylammonium chloride
CAS No: 1379309-53-1 Catalog No: AG01F2EH MDL No:
Product Description
Catalog Number:
AG01F2EH
Chemical Name:
5-Bromo-2-cyclopropylphenylammonium chloride
CAS Number:
1379309-53-1
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
IUPAC Name:
(5-bromo-2-cyclopropylphenyl)azanium;chloride
InChI:
InChI=1S/C9H10BrN.ClH/c10-7-3-4-8(6-1-2-6)9(11)5-7;/h3-6H,1-2,11H2;1H
InChI Key:
ZSAWCQDZAVBBIQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[NH3+])C1CC1.[Cl-]
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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