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7399-35-1 | 2-Amino-2-(3-chlorophenyl)propanoic acid
CAS No: 7399-35-1 Catalog No: AG005AFH MDL No:
Product Description
Catalog Number:
AG005AFH
Chemical Name:
2-Amino-2-(3-chlorophenyl)propanoic acid
CAS Number:
7399-35-1
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
2-amino-2-(3-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c1-9(11,8(12)13)6-3-2-4-7(10)5-6/h2-5H,11H2,1H3,(H,12,13)
InChI Key:
IPGVRQPFJILBHA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(C(=O)O)(N)C
NSC Number:
54405
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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