Benzyl anthranilate

CAT: 0024-sc-263019Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-263019Size:5 g

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CAS Number

82185-41-9

Chemical Information

Benzyl anthranilate

CAS Number	82185-41-9
PubChem CID	522771
IUPAC Name	benzyl 2-aminobenzoate
Molecular Formula	C14H13NO2
Molecular Weight	227.26
XLogP	3.4
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C14H13NO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10,15H2

InChIKey

ZHZPDMZPDWXVMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82185-41-9

CID: 522771

Formula: C14H13NO2

MW: 227.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.26
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	227.094628657
Monoisotopic Mass	227.094628657
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes