Methyl 1H-Indazole-7-carboxylate - CAS 755752-82-0

Catalog:	BB035351
Product Name:	Methyl 1H-Indazole-7-carboxylate
CAS:	755752-82-0
Synonyms:	1H-indazole-7-carboxylic acid methyl ester; methyl 1H-indazole-7-carboxylate

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Computed Properties

IUPAC Name:	methyl 1H-indazole-7-carboxylate
Description:	Methyl 1H-Indazole-7-carboxylate (CAS# 755752-82-0) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=CC=CC2=C1NN=C2
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)7-4-2-3-6-5-10-11-8(6)7/h2-5H,1H3,(H,10,11)
InChI Key:	GEWJEKADAXWFPY-UHFFFAOYSA-N
Boiling Point:	345.2 °C at 760 mmHg
Density:	1.324 g/cm³
LogP:	1.34950

Publication Number	Title	Priority Date
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
TW-202100532-A	Fused tricyclic compounds	20190305
CN-111606928-A	Azacyclodiketone compound and preparation method thereof	20190222
US-2019315712-A1	Bicyclic carboxamides and methods of use thereof	20180417
WO-2019204523-A1	Bicyclic carboxamides and methods of use thereof	20180417

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4