3-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid

3-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid

CAS: 682804-26-8

Formula: C10H12BrNO3

SMILES: COC1=C(C=C(Br)C=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(5-bromo-2-methoxyphenyl)propanoic acid

InChI: InChI=1/C10H12BrNO3/c1-15-9-3-2-6(11)4-7(9)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)

Composition: C (43.82%), H (4.41%), Br (29.15%), N (5.11%), O (17.51%)

Molar Mass: 274.114

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	273.000056
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SJHDPKBRJGKWIZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.07
Topological Polar Surface Area	72.55
Polarizability	23.31
Ring Count	1
Rotatable Bond Count	4

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