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1217836-26-4 | D-Proline, 2-[(3-bromophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217836-26-4 Catalog No: AG00160Q MDL No:MFCD06796764
Product Description
Catalog Number:
AG00160Q
Chemical Name:
D-Proline, 2-[(3-bromophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217836-26-4
Molecular Formula:
C12H15BrClNO2
Molecular Weight:
320.6100
MDL Number:
MFCD06796764
IUPAC Name:
(2S)-2-[(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14BrNO2.ClH/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12;/h1,3-4,7,14H,2,5-6,8H2,(H,15,16);1H/t12-;/m0./s1
InChI Key:
FQZLDJKMSRXAMF-YDALLXLXSA-N
SMILES:
Brc1cccc(c1)C[C@@]1(CCCN1)C(=O)O.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.611g/mol
Monoisotopic Mass:
318.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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