Catalog No.:AA0039HI

562803-69-4 | 3-(Pyrimidin-2-ylmethyl)benzoic acid

Name: Name:3-(Pyrimidin-2-ylmethyl)benzoic acid
Brand: AABLOCKS
SKU: AA0039HI
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA0039HI

Chemical Name:

3-(Pyrimidin-2-ylmethyl)benzoic acid

CAS Number:

562803-69-4

Molecular Formula:

C12H10N2O2

Molecular Weight:

214.2200

MDL Number:

MFCD18826004

SMILES:

OC(=O)c1cccc(c1)Cc1ncccn1

Properties

Computed Properties

Complexity:

239

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title: A structure-permeability study of small drug-like molecules.

Journal: Bioorganic & medicinal chemistry letters 20030224

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Tags:562803-69-4 Molecular Formula|562803-69-4 MDL|562803-69-4 SMILES|562803-69-4 3-(Pyrimidin-2-ylmethyl)benzoic acid

Catalog No.: AA0039HI

562803-69-4 | 3-(Pyrimidin-2-ylmethyl)benzoic acid

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA0039HI

Chemical Name: 3-(Pyrimidin-2-ylmethyl)benzoic acid

CAS Number: 562803-69-4

Molecular Formula: C12H10N2O2

Molecular Weight: 214.2200

MDL Number: MFCD18826004

SMILES: OC(=O)c1cccc(c1)Cc1ncccn1

Properties

Complexity: 239

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.7

Literature fold

Title: A structure-permeability study of small drug-like molecules.

Journal: Bioorganic & medicinal chemistry letters20030224

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99-08-1

3-Nitrotoluene

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AA0039NK | MFCD22052783

1427359-47-4

5-Oxa-2-aza-spiro[3.5]nonane oxalate

AA0039QT | MFCD20926175

62400-75-3

5-(Hydroxymethyl)pyrrolidin-2-one

AA0039UH | MFCD06661931

58-05-9

Folinic acid

AA0039Y7 | MFCD00867488

847658-45-1

(S)-Methyl 2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-6-aminohexanoate hydrochloride

AA003A27 | MFCD08275774

1523617-88-0

2-Aza-spiro[4.4]nonane hemioxalate

AA003A5U | MFCD27988099

1029712-80-8

Incb28060

AA003A97 | MFCD18633285

1092563-72-8

tert-Butyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)methyl)piperidine-1-carboxylate

AA003ADW | MFCD18383260

50978-45-5

N-Formylsaccharin

AA003AJG | MFCD23380208

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