2-Bromopyrimidine-5-carbaldehyde - CAS 1456863-37-8

Catalog:	BB009989
Product Name:	2-Bromopyrimidine-5-carbaldehyde
CAS:	1456863-37-8
Synonyms:	2-bromo-5-pyrimidinecarboxaldehyde; 2-bromopyrimidine-5-carbaldehyde

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Computed Properties

IUPAC Name:	2-bromopyrimidine-5-carbaldehyde
Description:	2-Bromopyrimidine-5-carbaldehyde (CAS# 1456863-37-8) is a useful research chemical.
Molecular Weight:	186.99
Molecular Formula:	C5H3BrN2O
Canonical SMILES:	C1=C(C=NC(=N1)Br)C=O
InChI:	InChI=1S/C5H3BrN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
InChI Key:	SYXSPPBOICULFV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2018275552-A1	Substituted nitrogen containing compounds	20170601
CA-3065309-A1	Substituted nitrogen containing compounds	20170601
CN-110678463-A	Substituted nitrogen-containing compounds	20170601
EP-3630752-A1	Substituted nitrogen containing compounds	20170601
KR-20200011986-A	Substituted Nitrogen-Containing Compounds	20170601

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.94288
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.94288
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7