CAS
90536-66-6 Purity
98%
90536-66-6 Purity
98%
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3-Amino-7-chloro-2-methylquinazolin-4(3H)-one
CAS
90537-62-5
Catalog Number
ACM90537625
Category
Other Products
Molecular Weight
209.632320 [g/mol]
Molecular Formula
C9H8ClN3O
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Specification
Synonyms
MolPort-002-466-750, ZINC02654059, CID2117530, EN300-09771, 90537-62-5
IUPAC Name
3-amino-7-chloro-2-methylquinazolin-4-one
InChI Key
GINCQOASZXXVEB-UHFFFAOYSA-N
Boiling Point
395.9ºC at 760mmHg
Flash Point
193.2ºC
Density
1.51g/cm³
Exact Mass
209.03600
H-Bond Acceptor
3
H-Bond Donor
1
What is the IUPAC name of the compound?
3-amino-7-chloro-2-methylquinazolin-4-one
What is the InChI of the compound?
InChI=1S/C9H8ClN3O/c1-5-12-8-4-6(10)2-3-7(8)9(14)13(5)11/h2-4H,11H2,1H3
What is the InChIKey of the compound?
GINCQOASZXXVEB-UHFFFAOYSA-N
What is the canonical SMILES of the compound?
CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1N
What is the molecular weight of the compound?
209.63 g/mol
What is the value of XLogP3-AA for the compound?
0.8
How many hydrogen bond donor counts are there in the compound?
1
How many hydrogen bond acceptor counts are there in the compound?
3
What is the exact mass of the compound?
209.0355896 g/mol
Is the compound canonicalized?
Yes
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