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1262858-65-0 | 2-Amino-2-(3-bromophenyl)propanoic acid hydrochloride
CAS No: 1262858-65-0 Catalog No: AG01F87O MDL No:
Product Description
Catalog Number:
AG01F87O
Chemical Name:
2-Amino-2-(3-bromophenyl)propanoic acid hydrochloride
CAS Number:
1262858-65-0
Molecular Formula:
C9H11BrClNO2
Molecular Weight:
280.5461
IUPAC Name:
2-amino-2-(3-bromophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H10BrNO2.ClH/c1-9(11,8(12)13)6-3-2-4-7(10)5-6;/h2-5H,11H2,1H3,(H,12,13);1H
InChI Key:
KRDMRTOPFNWXSU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C(=O)O)(N)C.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.546g/mol
Monoisotopic Mass:
278.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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