AG005X0D

958452-00-1 | 5-bromoquinazoline

AG005X0D

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CAS Number	958452-00-1
Catalog Number	AG005X0D(AGN-PC-07B79D)
Chemical Name	5-bromoquinazoline
IUPAC Name	5-bromoquinazoline
InChI	InChI=1S/C8H5BrN2/c9-7-2-1-3-8-6(7)4-10-5-11-8/h1-5H
InChI Key	IAQNFOPKXLQOLR-UHFFFAOYSA-N
MDL Number	MFCD11036107
Molecular Formula	C8H5BrN2
Molecular Weight	209.0427
SMILES	BrC1=C2C(=CC=C1)N=CN=C2
Synonyms	5-BROMOQUINAZOLINE, 958452-00-1, 5-BROMO-QUINAZOLINE, AK-27553, PubChem14655, SCHEMBL1502533, CTK5H8224, DTXSID40669695, IAQNFOPKXLQOLR-UHFFFAOYSA-N, KS-000003GH, ABBYPHARMA AP-12-10935, ANW-52476, MFCD11036107, ZINC35270050, AKOS015919867, FCH1323091, FS-2884, PB25306, RP09245, AJ-91023, AN-26104, BC003895, BR-27553, CJ-18682, AB0027877, AX8162995, DB-080354, TX-012125, 4CH-008868, AM20050004, FT-0684807, ST24029430, W9776, A19355, C-8564, 452B001, J-517209, 4-bromoquinazoline, C8H5BrN2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.964g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.046g/mol
Monoisotopic Mass	207.964g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number