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1005-66-9 | Benzenamine, N-(2-bromoethyl)-, hydrobromide (1:1)
CAS No: 1005-66-9 Catalog No: AG00025G MDL No:
Product Description
Catalog Number:
AG00025G
Chemical Name:
Benzenamine, N-(2-bromoethyl)-, hydrobromide (1:1)
CAS Number:
1005-66-9
Molecular Formula:
C8H11Br2N
Molecular Weight:
280.9876
IUPAC Name:
N-(2-bromoethyl)aniline;hydrobromide
InChI:
InChI=1S/C8H10BrN.BrH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5,10H,6-7H2;1H
InChI Key:
MXNALQRSXHOIEA-UHFFFAOYSA-N
SMILES:
BrCCNc1ccccc1.Br
EC Number:
213-738-5
NSC Number:
25318
Properties
Complexity:
79.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.991g/mol
Monoisotopic Mass:
278.926g/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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