AG003MNB

2818-69-1 | 5-chloro-2-methyl-1H-1,3-benzodiazole

AG003MNB

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CAS Number	2818-69-1
Catalog Number	AG003MNB(AGN-PC-0O8K82)
Chemical Name	5-chloro-2-methyl-1H-1,3-benzodiazole
EC Number	220-575-3
IUPAC Name	6-chloro-2-methyl-1H-benzimidazole
InChI	InChI=1S/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChI Key	NICFDLORAOTXMD-UHFFFAOYSA-N
MDL Number	MFCD00014559
Molecular Formula	C8H7ClN2
Molecular Weight	166.6076
NSC Number	60139
SMILES	Cc1[nH]c2ccc(cc2n1)Cl
UNII	XV988Z010H
Synonyms	5-Chloro-2-methylbenzimidazole, 2818-69-1, 5-chloro-2-methyl-1H-benzo[d]imidazole, 5-Chloro-2-methyl-1H-benzimidazole, 2-Methyl-5-chlorobenzimidazole, 1H-Benzimidazole, 5-chloro-2-methyl-, 5-chloro-2-methyl-1H-1,3-benzodiazole, Benzimidazole, 5-chloro-2-methyl-, 6-chloro-2-methyl-1H-benzimidazole, UNII-XV988Z010H, EINECS 220-575-3, NSC 60139, 1H-Benzimidazole, 6-chloro-2-methyl-, CHEMBL72244, MLS002693275, NICFDLORAOTXMD-UHFFFAOYSA-N, XV988Z010H, SMR000013360, rozalin, NSC60139, PubChem7651, AC1Q3QVD, DSSTox_CID_4787, AC1L2Q3S, AC1Q2PC6, AC1Q2PC7, ACMC-1CL42, DSSTox_RID_77532, DSSTox_GSID_24787, MLS002415704, SCHEMBL2884316, DTXSID8024787, 5-Chloro-2-Methyl-Benzimidazole, CTK4G0983, CTK5C5187, HMS3041B21, ZINC394633, ALBB-028793, 2-Methyl-5-chloro-1H-benzimidazole, Tox21_200803, ANW-26350, ANW-58199, BDBM50404923, MFCD00014559, NSC-60139, 5-Chloro-2-methyl-1H-benzoimidazole, 1H-Benzimidazole,6-chloro-2-methyl-, AKOS000283127, AKOS003573857, 5-Chloro-2-methyl-1H-benzimidazole #, AB01154, LS-1122, MCULE-8029428662, PS-3416, TRA0071206, VI10173, KS-0000131K, 6-chloro-2-methyl-1H-benzo[d]imidazole, NCGC00091856-01, NCGC00091856-02, NCGC00258357-01, AJ-21401, BAS 05462271, CJ-03620, O127, ZB012398, CAS-2818-69-1, Benzimidazole, 5-chloro-2-methyl- (8CI), TC-115095, TC-146944, FT-0612973, A18569, 281C691, 818C691, 66771-92-4, C8H7ClN2, C8-H7-Cl-N2, CID76063, AR-1G7744, c0766, 1H-Benzimidazole, 5-chloro-2-methyl- (9CI), 6814-87-5,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.03g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.608g/mol
Monoisotopic Mass	166.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number