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7621-78-5 | Benzeneacetic acid, a-amino-4-chloro-a-ethyl-
CAS No: 7621-78-5 Catalog No: AG00577D MDL No:
Product Description
Catalog Number:
AG00577D
Chemical Name:
Benzeneacetic acid, a-amino-4-chloro-a-ethyl-
CAS Number:
7621-78-5
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
2-amino-2-(4-chlorophenyl)butanoic acid
InChI:
InChI=1S/C10H12ClNO2/c1-2-10(12,9(13)14)7-3-5-8(11)6-4-7/h3-6H,2,12H2,1H3,(H,13,14)
InChI Key:
UQQIZSMUAOFTCM-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Cl)(C(=O)O)N
NSC Number:
42312
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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